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/rna1-7f194bf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna1-7f194bf9/inputs/seq.fa: 1
curr_seq: _CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC
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 66 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: 335
n_atoms_counter: 335
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 66.000000 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/rna1-7f194bf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna1-7f194bf9/inputs/seq.fa: 1
curr_seq: _CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC
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 66 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: 335
n_atoms_counter: 335
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 66.000000 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/rna1-7f194bf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna1-7f194bf9/inputs/seq.fa: 1
curr_seq: _CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC
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 66 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: 335
n_atoms_counter: 335
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 66.000000 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/rna1-7f194bf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna1-7f194bf9/inputs/seq.fa: 1
curr_seq: _CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC
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 66 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: 335
n_atoms_counter: 335
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 66.000000 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/rna1-7f194bf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna1-7f194bf9/inputs/seq.fa: 1
curr_seq: _CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC
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 66 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: 335
n_atoms_counter: 335
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 66.000000 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/rna1-7f194bf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna1-7f194bf9/inputs/seq.fa: 1
curr_seq: _CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC
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 66 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: 335
n_atoms_counter: 335
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 66.000000 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/rna1-7f194bf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna1-7f194bf9/inputs/seq.fa: 1
curr_seq: _CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC
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 66 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: 335
n_atoms_counter: 335
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 66.000000 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/rna1-7f194bf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna1-7f194bf9/inputs/seq.fa: 1
curr_seq: _CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC
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 66 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: 335
n_atoms_counter: 335
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 66.000000 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/rna1-7f194bf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna1-7f194bf9/inputs/seq.fa: 1
curr_seq: _CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC
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 66 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: 335
n_atoms_counter: 335
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 66.000000 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/rna1-7f194bf9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/rna1-7f194bf9/inputs/seq.fa: 1
curr_seq: _CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUACAUUAAUCAGUAGUCACCCGAACAUUCCUAUACUGUCCCCCAAUUCCUUUCAGCACCAGCUGC
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 66 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: 335
n_atoms_counter: 335
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 66.000000 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: -258.956560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.956560 (E_RNA)
where:
Base-Base interactions energy: -1.771
where: short stacking energy: -1.771
Base-Backbone interact. energy: -0.000
local terms energy: -257.185915
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -258.956560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.956560 (E_RNA)
where:
Base-Base interactions energy: -1.771
where: short stacking energy: -1.771
Base-Backbone interact. energy: -0.000
local terms energy: -257.185915
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -29.229
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -258.956560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.956560 (E_RNA)
where:
Base-Base interactions energy: -1.771
where: short stacking energy: -1.771
Base-Backbone interact. energy: -0.000
local terms energy: -257.185915
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -29.229
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -258.956560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.956560 (E_RNA)
where:
Base-Base interactions energy: -1.771
where: short stacking energy: -1.771
Base-Backbone interact. energy: -0.000
local terms energy: -257.185915
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -258.956560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.956560 (E_RNA)
where:
Base-Base interactions energy: -1.771
where: short stacking energy: -1.771
Base-Backbone interact. energy: -0.000
local terms energy: -257.185915
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -258.956560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.956560 (E_RNA)
where:
Base-Base interactions energy: -1.771
where: short stacking energy: -1.771
Base-Backbone interact. energy: -0.000
local terms energy: -257.185915
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -29.229
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -258.956560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.956560 (E_RNA)
where:
Base-Base interactions energy: -1.771
where: short stacking energy: -1.771
Base-Backbone interact. energy: -0.000
local terms energy: -257.185915
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -29.229
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -258.956560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.956560 (E_RNA)
where:
Base-Base interactions energy: -1.771
where: short stacking energy: -1.771
Base-Backbone interact. energy: -0.000
local terms energy: -257.185915
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -29.229
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: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -258.956560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.956560 (E_RNA)
where:
Base-Base interactions energy: -1.771
where: short stacking energy: -1.771
Base-Backbone interact. energy: -0.000
local terms energy: -257.185915
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -29.229
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -258.956560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.956560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.956560 (E_RNA)
where:
Base-Base interactions energy: -1.771
where: short stacking energy: -1.771
Base-Backbone interact. energy: -0.000
local terms energy: -257.185915
where:
bonds (distance) C4'-P energy: -64.124
bonds (distance) P-C4' energy: -59.942
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -29.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -348.965682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.965682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.965682 (E_RNA)
where:
Base-Base interactions energy: -149.889
where: short stacking energy: -139.339
Base-Backbone interact. energy: -0.658
local terms energy: -198.418686
where:
bonds (distance) C4'-P energy: -50.461
bonds (distance) P-C4' energy: -45.515
flat angles C4'-P-C4' energy: -44.112
flat angles P-C4'-P energy: -26.112
tors. eta vs tors. theta energy: -32.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -353.401499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.401499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.401499 (E_RNA)
where:
Base-Base interactions energy: -145.607
where: short stacking energy: -140.769
Base-Backbone interact. energy: -0.376
local terms energy: -207.418746
where:
bonds (distance) C4'-P energy: -39.297
bonds (distance) P-C4' energy: -44.463
flat angles C4'-P-C4' energy: -46.908
flat angles P-C4'-P energy: -32.740
tors. eta vs tors. theta energy: -44.011
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -302.816021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.816021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.816021 (E_RNA)
where:
Base-Base interactions energy: -125.406
where: short stacking energy: -116.840
Base-Backbone interact. energy: 1.169
local terms energy: -178.578630
where:
bonds (distance) C4'-P energy: -50.059
bonds (distance) P-C4' energy: -36.565
flat angles C4'-P-C4' energy: -40.942
flat angles P-C4'-P energy: -28.552
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -290.442829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.442829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.442829 (E_RNA)
where:
Base-Base interactions energy: -125.037
where: short stacking energy: -82.440
Base-Backbone interact. energy: -0.868
local terms energy: -164.537961
where:
bonds (distance) C4'-P energy: -44.365
bonds (distance) P-C4' energy: -44.699
flat angles C4'-P-C4' energy: -33.553
flat angles P-C4'-P energy: -29.111
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -261.753756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.753756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.753756 (E_RNA)
where:
Base-Base interactions energy: -98.263
where: short stacking energy: -88.890
Base-Backbone interact. energy: -0.273
local terms energy: -163.217187
where:
bonds (distance) C4'-P energy: -51.867
bonds (distance) P-C4' energy: -50.361
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -258.811418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.811418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.811418 (E_RNA)
where:
Base-Base interactions energy: -3.976
where: short stacking energy: -3.976
Base-Backbone interact. energy: -0.000
local terms energy: -254.835322
where:
bonds (distance) C4'-P energy: -62.920
bonds (distance) P-C4' energy: -59.681
flat angles C4'-P-C4' energy: -47.731
flat angles P-C4'-P energy: -55.310
tors. eta vs tors. theta energy: -29.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -259.079926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.079926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.079926 (E_RNA)
where:
Base-Base interactions energy: -5.822
where: short stacking energy: -5.822
Base-Backbone interact. energy: -0.000
local terms energy: -253.257664
where:
bonds (distance) C4'-P energy: -62.688
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -46.850
flat angles P-C4'-P energy: -55.113
tors. eta vs tors. theta energy: -28.940
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -259.116491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.116491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.116491 (E_RNA)
where:
Base-Base interactions energy: -5.822
where: short stacking energy: -5.822
Base-Backbone interact. energy: -0.000
local terms energy: -253.294906
where:
bonds (distance) C4'-P energy: -62.688
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -46.850
flat angles P-C4'-P energy: -55.151
tors. eta vs tors. theta energy: -28.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -258.258285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.258285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.258285 (E_RNA)
where:
Base-Base interactions energy: -2.992
where: short stacking energy: -2.992
Base-Backbone interact. energy: -0.000
local terms energy: -255.265794
where:
bonds (distance) C4'-P energy: -63.537
bonds (distance) P-C4' energy: -59.928
flat angles C4'-P-C4' energy: -47.577
flat angles P-C4'-P energy: -55.273
tors. eta vs tors. theta energy: -28.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -258.761076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.761076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.761076 (E_RNA)
where:
Base-Base interactions energy: -3.234
where: short stacking energy: -3.234
Base-Backbone interact. energy: -0.000
local terms energy: -255.527228
where:
bonds (distance) C4'-P energy: -63.537
bonds (distance) P-C4' energy: -59.928
flat angles C4'-P-C4' energy: -47.577
flat angles P-C4'-P energy: -55.273
tors. eta vs tors. theta energy: -29.213
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -420.419012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.419012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.419012 (E_RNA)
where:
Base-Base interactions energy: -222.850
where: short stacking energy: -144.688
Base-Backbone interact. energy: 1.431
local terms energy: -198.999612
where:
bonds (distance) C4'-P energy: -44.080
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -50.064
flat angles P-C4'-P energy: -28.980
tors. eta vs tors. theta energy: -39.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -346.019012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.019012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.019012 (E_RNA)
where:
Base-Base interactions energy: -153.002
where: short stacking energy: -152.611
Base-Backbone interact. energy: 1.261
local terms energy: -194.277425
where:
bonds (distance) C4'-P energy: -42.143
bonds (distance) P-C4' energy: -39.060
flat angles C4'-P-C4' energy: -49.249
flat angles P-C4'-P energy: -26.492
tors. eta vs tors. theta energy: -37.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -321.008820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.008820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.008820 (E_RNA)
where:
Base-Base interactions energy: -133.011
where: short stacking energy: -119.951
Base-Backbone interact. energy: -0.311
local terms energy: -187.686443
where:
bonds (distance) C4'-P energy: -39.713
bonds (distance) P-C4' energy: -45.374
flat angles C4'-P-C4' energy: -37.557
flat angles P-C4'-P energy: -34.621
tors. eta vs tors. theta energy: -30.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -369.807097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.807097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.807097 (E_RNA)
where:
Base-Base interactions energy: -205.041
where: short stacking energy: -98.804
Base-Backbone interact. energy: -3.192
local terms energy: -161.573494
where:
bonds (distance) C4'-P energy: -41.724
bonds (distance) P-C4' energy: -45.968
flat angles C4'-P-C4' energy: -42.811
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -267.420359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.420359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.420359 (E_RNA)
where:
Base-Base interactions energy: -101.195
where: short stacking energy: -86.845
Base-Backbone interact. energy: -0.562
local terms energy: -165.663629
where:
bonds (distance) C4'-P energy: -40.949
bonds (distance) P-C4' energy: -43.473
flat angles C4'-P-C4' energy: -35.816
flat angles P-C4'-P energy: -30.233
tors. eta vs tors. theta energy: -15.193
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -274.205473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.205473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.205473 (E_RNA)
where:
Base-Base interactions energy: -123.137
where: short stacking energy: -92.670
Base-Backbone interact. energy: -0.654
local terms energy: -150.414261
where:
bonds (distance) C4'-P energy: -41.133
bonds (distance) P-C4' energy: -41.872
flat angles C4'-P-C4' energy: -39.169
flat angles P-C4'-P energy: -22.029
tors. eta vs tors. theta energy: -6.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -291.239490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.239490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.239490 (E_RNA)
where:
Base-Base interactions energy: -129.338
where: short stacking energy: -97.684
Base-Backbone interact. energy: 0.240
local terms energy: -162.140698
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -36.046
flat angles C4'-P-C4' energy: -43.897
flat angles P-C4'-P energy: -19.908
tors. eta vs tors. theta energy: -21.472
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -235.584046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.584046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.584046 (E_RNA)
where:
Base-Base interactions energy: -95.488
where: short stacking energy: -76.667
Base-Backbone interact. energy: 0.488
local terms energy: -140.584635
where:
bonds (distance) C4'-P energy: -35.897
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -34.551
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -8.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -207.103979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.103979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.103979 (E_RNA)
where:
Base-Base interactions energy: -73.744
where: short stacking energy: -58.990
Base-Backbone interact. energy: -0.699
local terms energy: -132.661736
where:
bonds (distance) C4'-P energy: -41.028
bonds (distance) P-C4' energy: -37.786
flat angles C4'-P-C4' energy: -29.488
flat angles P-C4'-P energy: -17.583
tors. eta vs tors. theta energy: -6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -187.894162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.894162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.894162 (E_RNA)
where:
Base-Base interactions energy: -79.472
where: short stacking energy: -58.095
Base-Backbone interact. energy: 0.462
local terms energy: -108.884295
where:
bonds (distance) C4'-P energy: -39.606
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -33.559
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: 1.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -481.005485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.005485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.005485 (E_RNA)
where:
Base-Base interactions energy: -283.127
where: short stacking energy: -169.205
Base-Backbone interact. energy: -0.946
local terms energy: -196.932263
where:
bonds (distance) C4'-P energy: -38.667
bonds (distance) P-C4' energy: -37.303
flat angles C4'-P-C4' energy: -48.201
flat angles P-C4'-P energy: -30.925
tors. eta vs tors. theta energy: -41.837
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: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -364.406980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.406980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.406980 (E_RNA)
where:
Base-Base interactions energy: -166.266
where: short stacking energy: -137.296
Base-Backbone interact. energy: -0.215
local terms energy: -197.926924
where:
bonds (distance) C4'-P energy: -46.360
bonds (distance) P-C4' energy: -42.242
flat angles C4'-P-C4' energy: -48.353
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -37.816
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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -405.248258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.248258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.248258 (E_RNA)
where:
Base-Base interactions energy: -229.008
where: short stacking energy: -118.232
Base-Backbone interact. energy: 3.974
local terms energy: -180.214238
where:
bonds (distance) C4'-P energy: -39.743
bonds (distance) P-C4' energy: -38.858
flat angles C4'-P-C4' energy: -44.147
flat angles P-C4'-P energy: -30.164
tors. eta vs tors. theta energy: -27.301
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: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -297.266290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.266290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.266290 (E_RNA)
where:
Base-Base interactions energy: -126.023
where: short stacking energy: -112.062
Base-Backbone interact. energy: -1.412
local terms energy: -169.831563
where:
bonds (distance) C4'-P energy: -45.611
bonds (distance) P-C4' energy: -46.470
flat angles C4'-P-C4' energy: -38.366
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -24.552
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -326.802936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.802936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.802936 (E_RNA)
where:
Base-Base interactions energy: -152.318
where: short stacking energy: -106.995
Base-Backbone interact. energy: -0.801
local terms energy: -173.684105
where:
bonds (distance) C4'-P energy: -40.213
bonds (distance) P-C4' energy: -43.127
flat angles C4'-P-C4' energy: -43.137
flat angles P-C4'-P energy: -22.710
tors. eta vs tors. theta energy: -24.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -250.105420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.105420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.105420 (E_RNA)
where:
Base-Base interactions energy: -100.876
where: short stacking energy: -73.674
Base-Backbone interact. energy: -1.435
local terms energy: -147.794332
where:
bonds (distance) C4'-P energy: -39.409
bonds (distance) P-C4' energy: -38.270
flat angles C4'-P-C4' energy: -34.762
flat angles P-C4'-P energy: -23.205
tors. eta vs tors. theta energy: -12.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -309.979448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.979448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.979448 (E_RNA)
where:
Base-Base interactions energy: -153.052
where: short stacking energy: -103.240
Base-Backbone interact. energy: -0.876
local terms energy: -156.051474
where:
bonds (distance) C4'-P energy: -36.615
bonds (distance) P-C4' energy: -46.230
flat angles C4'-P-C4' energy: -46.293
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -225.057717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.057717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.057717 (E_RNA)
where:
Base-Base interactions energy: -96.344
where: short stacking energy: -46.768
Base-Backbone interact. energy: -0.094
local terms energy: -128.620200
where:
bonds (distance) C4'-P energy: -40.999
bonds (distance) P-C4' energy: -39.637
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: 4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -213.542121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.542121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.542121 (E_RNA)
where:
Base-Base interactions energy: -87.562
where: short stacking energy: -65.686
Base-Backbone interact. energy: 0.835
local terms energy: -126.814955
where:
bonds (distance) C4'-P energy: -34.111
bonds (distance) P-C4' energy: -36.065
flat angles C4'-P-C4' energy: -36.060
flat angles P-C4'-P energy: -23.521
tors. eta vs tors. theta energy: 2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -202.389400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.389400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.389400 (E_RNA)
where:
Base-Base interactions energy: -67.461
where: short stacking energy: -61.759
Base-Backbone interact. energy: 4.649
local terms energy: -139.578116
where:
bonds (distance) C4'-P energy: -38.991
bonds (distance) P-C4' energy: -44.454
flat angles C4'-P-C4' energy: -27.661
flat angles P-C4'-P energy: -19.232
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: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -481.334415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.334415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.334415 (E_RNA)
where:
Base-Base interactions energy: -280.016
where: short stacking energy: -156.977
Base-Backbone interact. energy: -0.783
local terms energy: -200.535776
where:
bonds (distance) C4'-P energy: -44.420
bonds (distance) P-C4' energy: -44.824
flat angles C4'-P-C4' energy: -44.983
flat angles P-C4'-P energy: -30.614
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: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -450.012340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.012340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.012340 (E_RNA)
where:
Base-Base interactions energy: -278.875
where: short stacking energy: -145.463
Base-Backbone interact. energy: 1.082
local terms energy: -172.218784
where:
bonds (distance) C4'-P energy: -41.928
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -43.406
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -27.305
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: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -392.502784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.502784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.502784 (E_RNA)
where:
Base-Base interactions energy: -213.835
where: short stacking energy: -119.654
Base-Backbone interact. energy: -0.686
local terms energy: -177.981851
where:
bonds (distance) C4'-P energy: -45.203
bonds (distance) P-C4' energy: -38.870
flat angles C4'-P-C4' energy: -48.523
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -325.603322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.603322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.603322 (E_RNA)
where:
Base-Base interactions energy: -134.077
where: short stacking energy: -123.836
Base-Backbone interact. energy: -0.210
local terms energy: -191.316202
where:
bonds (distance) C4'-P energy: -39.506
bonds (distance) P-C4' energy: -51.518
flat angles C4'-P-C4' energy: -39.325
flat angles P-C4'-P energy: -33.926
tors. eta vs tors. theta energy: -27.042
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: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -292.652529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.652529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.652529 (E_RNA)
where:
Base-Base interactions energy: -136.949
where: short stacking energy: -106.299
Base-Backbone interact. energy: 1.703
local terms energy: -157.406372
where:
bonds (distance) C4'-P energy: -42.512
bonds (distance) P-C4' energy: -45.358
flat angles C4'-P-C4' energy: -34.362
flat angles P-C4'-P energy: -15.539
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -336.330617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.330617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.330617 (E_RNA)
where:
Base-Base interactions energy: -175.796
where: short stacking energy: -108.452
Base-Backbone interact. energy: 0.335
local terms energy: -160.869987
where:
bonds (distance) C4'-P energy: -28.338
bonds (distance) P-C4' energy: -42.487
flat angles C4'-P-C4' energy: -37.854
flat angles P-C4'-P energy: -26.284
tors. eta vs tors. theta energy: -25.907
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: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -264.915876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.915876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.915876 (E_RNA)
where:
Base-Base interactions energy: -110.398
where: short stacking energy: -74.097
Base-Backbone interact. energy: -0.737
local terms energy: -153.780489
where:
bonds (distance) C4'-P energy: -41.531
bonds (distance) P-C4' energy: -44.285
flat angles C4'-P-C4' energy: -39.834
flat angles P-C4'-P energy: -18.934
tors. eta vs tors. theta energy: -9.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -212.752297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.752297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.752297 (E_RNA)
where:
Base-Base interactions energy: -68.339
where: short stacking energy: -61.983
Base-Backbone interact. energy: -1.042
local terms energy: -143.370975
where:
bonds (distance) C4'-P energy: -42.523
bonds (distance) P-C4' energy: -38.134
flat angles C4'-P-C4' energy: -41.044
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -3.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -243.802337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.802337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.802337 (E_RNA)
where:
Base-Base interactions energy: -125.430
where: short stacking energy: -62.159
Base-Backbone interact. energy: -1.552
local terms energy: -116.820284
where:
bonds (distance) C4'-P energy: -29.998
bonds (distance) P-C4' energy: -38.815
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -216.310558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.310558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.310558 (E_RNA)
where:
Base-Base interactions energy: -74.842
where: short stacking energy: -56.239
Base-Backbone interact. energy: -0.066
local terms energy: -141.401845
where:
bonds (distance) C4'-P energy: -43.256
bonds (distance) P-C4' energy: -31.470
flat angles C4'-P-C4' energy: -37.612
flat angles P-C4'-P energy: -28.012
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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -531.971958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.971958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.971958 (E_RNA)
where:
Base-Base interactions energy: -323.146
where: short stacking energy: -135.912
Base-Backbone interact. energy: -1.481
local terms energy: -207.344753
where:
bonds (distance) C4'-P energy: -44.716
bonds (distance) P-C4' energy: -48.540
flat angles C4'-P-C4' energy: -42.354
flat angles P-C4'-P energy: -30.531
tors. eta vs tors. theta energy: -41.203
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: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -453.735158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.735158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.735158 (E_RNA)
where:
Base-Base interactions energy: -269.040
where: short stacking energy: -149.045
Base-Backbone interact. energy: -0.679
local terms energy: -184.016784
where:
bonds (distance) C4'-P energy: -40.884
bonds (distance) P-C4' energy: -44.552
flat angles C4'-P-C4' energy: -44.115
flat angles P-C4'-P energy: -25.401
tors. eta vs tors. theta energy: -29.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -344.907453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.907453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.907453 (E_RNA)
where:
Base-Base interactions energy: -156.860
where: short stacking energy: -141.734
Base-Backbone interact. energy: -1.399
local terms energy: -186.648286
where:
bonds (distance) C4'-P energy: -45.093
bonds (distance) P-C4' energy: -43.043
flat angles C4'-P-C4' energy: -37.135
flat angles P-C4'-P energy: -28.480
tors. eta vs tors. theta energy: -32.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -373.660531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.660531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.660531 (E_RNA)
where:
Base-Base interactions energy: -203.901
where: short stacking energy: -130.931
Base-Backbone interact. energy: -0.226
local terms energy: -169.532878
where:
bonds (distance) C4'-P energy: -25.798
bonds (distance) P-C4' energy: -37.956
flat angles C4'-P-C4' energy: -46.177
flat angles P-C4'-P energy: -26.514
tors. eta vs tors. theta energy: -33.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -341.820099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.820099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.820099 (E_RNA)
where:
Base-Base interactions energy: -187.887
where: short stacking energy: -101.233
Base-Backbone interact. energy: 1.185
local terms energy: -155.118265
where:
bonds (distance) C4'-P energy: -40.498
bonds (distance) P-C4' energy: -30.219
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -270.648176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.648176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.648176 (E_RNA)
where:
Base-Base interactions energy: -131.822
where: short stacking energy: -86.898
Base-Backbone interact. energy: -0.491
local terms energy: -138.334686
where:
bonds (distance) C4'-P energy: -45.096
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -32.645
flat angles P-C4'-P energy: -22.337
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -228.724397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.724397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.724397 (E_RNA)
where:
Base-Base interactions energy: -83.045
where: short stacking energy: -79.157
Base-Backbone interact. energy: 0.140
local terms energy: -145.819438
where:
bonds (distance) C4'-P energy: -35.406
bonds (distance) P-C4' energy: -34.336
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -33.276
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: 8, replica: 5
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -216.355824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.355824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.355824 (E_RNA)
where:
Base-Base interactions energy: -70.991
where: short stacking energy: -61.123
Base-Backbone interact. energy: 2.193
local terms energy: -147.557650
where:
bonds (distance) C4'-P energy: -35.681
bonds (distance) P-C4' energy: -45.314
flat angles C4'-P-C4' energy: -36.806
flat angles P-C4'-P energy: -23.550
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -248.774443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.774443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.774443 (E_RNA)
where:
Base-Base interactions energy: -113.910
where: short stacking energy: -70.425
Base-Backbone interact. energy: -1.350
local terms energy: -133.513706
where:
bonds (distance) C4'-P energy: -26.530
bonds (distance) P-C4' energy: -43.680
flat angles C4'-P-C4' energy: -42.700
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -0.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -179.509039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.509039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.509039 (E_RNA)
where:
Base-Base interactions energy: -63.894
where: short stacking energy: -47.939
Base-Backbone interact. energy: 2.167
local terms energy: -117.782338
where:
bonds (distance) C4'-P energy: -32.015
bonds (distance) P-C4' energy: -32.213
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -19.535
tors. eta vs tors. theta energy: 1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -541.226937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.226937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.226937 (E_RNA)
where:
Base-Base interactions energy: -329.410
where: short stacking energy: -156.311
Base-Backbone interact. energy: -0.507
local terms energy: -211.310752
where:
bonds (distance) C4'-P energy: -46.647
bonds (distance) P-C4' energy: -42.542
flat angles C4'-P-C4' energy: -48.330
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: -37.805
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: 7
Temperature: 0.950000
Total energy: -442.721980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.721980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.721980 (E_RNA)
where:
Base-Base interactions energy: -266.487
where: short stacking energy: -133.563
Base-Backbone interact. energy: -0.186
local terms energy: -176.049188
where:
bonds (distance) C4'-P energy: -44.193
bonds (distance) P-C4' energy: -36.021
flat angles C4'-P-C4' energy: -42.776
flat angles P-C4'-P energy: -20.260
tors. eta vs tors. theta energy: -32.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -338.459980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.459980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.459980 (E_RNA)
where:
Base-Base interactions energy: -168.230
where: short stacking energy: -129.520
Base-Backbone interact. energy: -1.630
local terms energy: -168.599402
where:
bonds (distance) C4'-P energy: -40.496
bonds (distance) P-C4' energy: -43.346
flat angles C4'-P-C4' energy: -39.562
flat angles P-C4'-P energy: -21.010
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -390.497511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.497511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.497511 (E_RNA)
where:
Base-Base interactions energy: -207.334
where: short stacking energy: -122.398
Base-Backbone interact. energy: -1.329
local terms energy: -181.834765
where:
bonds (distance) C4'-P energy: -46.246
bonds (distance) P-C4' energy: -37.097
flat angles C4'-P-C4' energy: -42.311
flat angles P-C4'-P energy: -26.381
tors. eta vs tors. theta energy: -29.800
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: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -353.901834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.901834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.901834 (E_RNA)
where:
Base-Base interactions energy: -184.133
where: short stacking energy: -97.042
Base-Backbone interact. energy: -0.274
local terms energy: -169.494742
where:
bonds (distance) C4'-P energy: -43.190
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -38.842
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -271.030010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.030010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.030010 (E_RNA)
where:
Base-Base interactions energy: -125.071
where: short stacking energy: -84.610
Base-Backbone interact. energy: -1.571
local terms energy: -144.388279
where:
bonds (distance) C4'-P energy: -36.148
bonds (distance) P-C4' energy: -43.106
flat angles C4'-P-C4' energy: -30.239
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: -10.838
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: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -238.342222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.342222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.342222 (E_RNA)
where:
Base-Base interactions energy: -110.833
where: short stacking energy: -66.617
Base-Backbone interact. energy: 0.148
local terms energy: -127.657220
where:
bonds (distance) C4'-P energy: -36.605
bonds (distance) P-C4' energy: -39.281
flat angles C4'-P-C4' energy: -38.509
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -256.024387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.024387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.024387 (E_RNA)
where:
Base-Base interactions energy: -113.556
where: short stacking energy: -64.929
Base-Backbone interact. energy: -1.132
local terms energy: -141.337057
where:
bonds (distance) C4'-P energy: -32.946
bonds (distance) P-C4' energy: -45.446
flat angles C4'-P-C4' energy: -30.555
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -9.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -184.712161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.712161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.712161 (E_RNA)
where:
Base-Base interactions energy: -57.401
where: short stacking energy: -54.126
Base-Backbone interact. energy: -0.600
local terms energy: -126.711451
where:
bonds (distance) C4'-P energy: -31.583
bonds (distance) P-C4' energy: -48.393
flat angles C4'-P-C4' energy: -34.312
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -181.134997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.134997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.134997 (E_RNA)
where:
Base-Base interactions energy: -63.915
where: short stacking energy: -50.898
Base-Backbone interact. energy: -0.866
local terms energy: -116.354171
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -40.684
flat angles C4'-P-C4' energy: -30.830
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -3.083
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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -534.128779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.128779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.128779 (E_RNA)
where:
Base-Base interactions energy: -321.903
where: short stacking energy: -175.695
Base-Backbone interact. energy: 0.655
local terms energy: -212.880949
where:
bonds (distance) C4'-P energy: -44.150
bonds (distance) P-C4' energy: -41.946
flat angles C4'-P-C4' energy: -45.517
flat angles P-C4'-P energy: -31.012
tors. eta vs tors. theta energy: -50.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -433.124944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.124944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.124944 (E_RNA)
where:
Base-Base interactions energy: -265.836
where: short stacking energy: -123.249
Base-Backbone interact. energy: -2.354
local terms energy: -164.934340
where:
bonds (distance) C4'-P energy: -45.867
bonds (distance) P-C4' energy: -35.942
flat angles C4'-P-C4' energy: -36.982
flat angles P-C4'-P energy: -19.170
tors. eta vs tors. theta energy: -26.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -431.568290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.568290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.568290 (E_RNA)
where:
Base-Base interactions energy: -260.106
where: short stacking energy: -124.150
Base-Backbone interact. energy: -0.937
local terms energy: -170.525252
where:
bonds (distance) C4'-P energy: -33.288
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -35.923
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -32.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -317.759316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.759316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.759316 (E_RNA)
where:
Base-Base interactions energy: -156.547
where: short stacking energy: -118.167
Base-Backbone interact. energy: -0.252
local terms energy: -160.960829
where:
bonds (distance) C4'-P energy: -33.825
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -24.882
tors. eta vs tors. theta energy: -20.384
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: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -349.499459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.499459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.499459 (E_RNA)
where:
Base-Base interactions energy: -192.087
where: short stacking energy: -105.050
Base-Backbone interact. energy: 2.482
local terms energy: -159.894621
where:
bonds (distance) C4'-P energy: -38.382
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -38.571
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -24.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -275.150848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.150848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.150848 (E_RNA)
where:
Base-Base interactions energy: -125.773
where: short stacking energy: -86.653
Base-Backbone interact. energy: 3.513
local terms energy: -152.891743
where:
bonds (distance) C4'-P energy: -36.824
bonds (distance) P-C4' energy: -37.949
flat angles C4'-P-C4' energy: -39.677
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: -12.970
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: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -269.835156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.835156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.835156 (E_RNA)
where:
Base-Base interactions energy: -128.037
where: short stacking energy: -73.193
Base-Backbone interact. energy: -0.842
local terms energy: -140.955636
where:
bonds (distance) C4'-P energy: -36.674
bonds (distance) P-C4' energy: -42.510
flat angles C4'-P-C4' energy: -37.645
flat angles P-C4'-P energy: -23.336
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -243.123815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.123815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.123815 (E_RNA)
where:
Base-Base interactions energy: -108.935
where: short stacking energy: -60.793
Base-Backbone interact. energy: 1.910
local terms energy: -136.098216
where:
bonds (distance) C4'-P energy: -35.495
bonds (distance) P-C4' energy: -38.502
flat angles C4'-P-C4' energy: -38.174
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -202.082982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.082982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.082982 (E_RNA)
where:
Base-Base interactions energy: -69.448
where: short stacking energy: -55.252
Base-Backbone interact. energy: -1.777
local terms energy: -130.857918
where:
bonds (distance) C4'-P energy: -40.741
bonds (distance) P-C4' energy: -41.327
flat angles C4'-P-C4' energy: -30.798
flat angles P-C4'-P energy: -21.682
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: 10, replica: 5
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -219.949776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.949776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.949776 (E_RNA)
where:
Base-Base interactions energy: -93.018
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.671
local terms energy: -126.260564
where:
bonds (distance) C4'-P energy: -34.563
bonds (distance) P-C4' energy: -31.057
flat angles C4'-P-C4' energy: -35.281
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -530.901478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.901478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.901478 (E_RNA)
where:
Base-Base interactions energy: -313.850
where: short stacking energy: -194.268
Base-Backbone interact. energy: -0.724
local terms energy: -216.327181
where:
bonds (distance) C4'-P energy: -39.100
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -50.950
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -56.370
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: 9
Temperature: 0.950000
Total energy: -496.674424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.674424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.674424 (E_RNA)
where:
Base-Base interactions energy: -300.646
where: short stacking energy: -160.016
Base-Backbone interact. energy: -0.201
local terms energy: -195.827425
where:
bonds (distance) C4'-P energy: -36.626
bonds (distance) P-C4' energy: -39.354
flat angles C4'-P-C4' energy: -51.143
flat angles P-C4'-P energy: -31.291
tors. eta vs tors. theta energy: -37.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -443.223737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.223737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.223737 (E_RNA)
where:
Base-Base interactions energy: -258.001
where: short stacking energy: -134.575
Base-Backbone interact. energy: -1.626
local terms energy: -183.597464
where:
bonds (distance) C4'-P energy: -43.601
bonds (distance) P-C4' energy: -37.747
flat angles C4'-P-C4' energy: -41.868
flat angles P-C4'-P energy: -27.478
tors. eta vs tors. theta energy: -32.905
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: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -325.774485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.774485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.774485 (E_RNA)
where:
Base-Base interactions energy: -152.841
where: short stacking energy: -105.794
Base-Backbone interact. energy: -0.777
local terms energy: -172.156661
where:
bonds (distance) C4'-P energy: -46.325
bonds (distance) P-C4' energy: -45.836
flat angles C4'-P-C4' energy: -40.516
flat angles P-C4'-P energy: -19.466
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -320.486811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.486811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.486811 (E_RNA)
where:
Base-Base interactions energy: -142.047
where: short stacking energy: -100.320
Base-Backbone interact. energy: 0.505
local terms energy: -178.944272
where:
bonds (distance) C4'-P energy: -38.478
bonds (distance) P-C4' energy: -48.045
flat angles C4'-P-C4' energy: -44.512
flat angles P-C4'-P energy: -23.498
tors. eta vs tors. theta energy: -24.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -295.493932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.493932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.493932 (E_RNA)
where:
Base-Base interactions energy: -159.255
where: short stacking energy: -104.732
Base-Backbone interact. energy: -1.439
local terms energy: -134.800611
where:
bonds (distance) C4'-P energy: -21.514
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -41.562
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -228.797616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.797616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.797616 (E_RNA)
where:
Base-Base interactions energy: -92.520
where: short stacking energy: -83.576
Base-Backbone interact. energy: -1.015
local terms energy: -135.262432
where:
bonds (distance) C4'-P energy: -38.254
bonds (distance) P-C4' energy: -39.158
flat angles C4'-P-C4' energy: -30.048
flat angles P-C4'-P energy: -21.847
tors. eta vs tors. theta energy: -5.956
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: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -199.547683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.547683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.547683 (E_RNA)
where:
Base-Base interactions energy: -74.267
where: short stacking energy: -51.362
Base-Backbone interact. energy: -1.294
local terms energy: -123.986167
where:
bonds (distance) C4'-P energy: -33.808
bonds (distance) P-C4' energy: -37.725
flat angles C4'-P-C4' energy: -35.673
flat angles P-C4'-P energy: -23.400
tors. eta vs tors. theta energy: 6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -184.256565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.256565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.256565 (E_RNA)
where:
Base-Base interactions energy: -59.311
where: short stacking energy: -45.408
Base-Backbone interact. energy: 4.139
local terms energy: -129.084507
where:
bonds (distance) C4'-P energy: -37.383
bonds (distance) P-C4' energy: -40.605
flat angles C4'-P-C4' energy: -33.691
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: 4.710
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: 5
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -233.912200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.912200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.912200 (E_RNA)
where:
Base-Base interactions energy: -112.307
where: short stacking energy: -67.894
Base-Backbone interact. energy: 0.074
local terms energy: -121.679964
where:
bonds (distance) C4'-P energy: -28.633
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -24.003
flat angles P-C4'-P energy: -20.300
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -550.375941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.375941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.375941 (E_RNA)
where:
Base-Base interactions energy: -329.576
where: short stacking energy: -181.872
Base-Backbone interact. energy: -0.840
local terms energy: -219.960250
where:
bonds (distance) C4'-P energy: -45.177
bonds (distance) P-C4' energy: -43.682
flat angles C4'-P-C4' energy: -45.756
flat angles P-C4'-P energy: -28.237
tors. eta vs tors. theta energy: -57.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -507.127686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.127686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.127686 (E_RNA)
where:
Base-Base interactions energy: -302.657
where: short stacking energy: -165.331
Base-Backbone interact. energy: -0.276
local terms energy: -204.194791
where:
bonds (distance) C4'-P energy: -45.475
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -47.120
flat angles P-C4'-P energy: -26.881
tors. eta vs tors. theta energy: -41.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -423.342870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.342870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.342870 (E_RNA)
where:
Base-Base interactions energy: -238.662
where: short stacking energy: -118.214
Base-Backbone interact. energy: -0.681
local terms energy: -183.999359
where:
bonds (distance) C4'-P energy: -45.518
bonds (distance) P-C4' energy: -38.278
flat angles C4'-P-C4' energy: -45.912
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -28.798
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: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -354.795896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.795896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.795896 (E_RNA)
where:
Base-Base interactions energy: -186.555
where: short stacking energy: -95.712
Base-Backbone interact. energy: 1.175
local terms energy: -169.416246
where:
bonds (distance) C4'-P energy: -43.181
bonds (distance) P-C4' energy: -42.426
flat angles C4'-P-C4' energy: -35.647
flat angles P-C4'-P energy: -31.430
tors. eta vs tors. theta energy: -16.732
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: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -329.435516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.435516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.435516 (E_RNA)
where:
Base-Base interactions energy: -162.795
where: short stacking energy: -113.847
Base-Backbone interact. energy: -0.497
local terms energy: -166.143525
where:
bonds (distance) C4'-P energy: -41.907
bonds (distance) P-C4' energy: -47.247
flat angles C4'-P-C4' energy: -33.188
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -345.270839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.270839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.270839 (E_RNA)
where:
Base-Base interactions energy: -170.645
where: short stacking energy: -107.956
Base-Backbone interact. energy: -0.635
local terms energy: -173.990449
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -42.208
flat angles C4'-P-C4' energy: -44.438
flat angles P-C4'-P energy: -25.485
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -230.516835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.516835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.516835 (E_RNA)
where:
Base-Base interactions energy: -85.691
where: short stacking energy: -66.521
Base-Backbone interact. energy: 2.571
local terms energy: -147.397164
where:
bonds (distance) C4'-P energy: -42.693
bonds (distance) P-C4' energy: -42.803
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -21.145
tors. eta vs tors. theta energy: -8.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -206.921054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.921054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.921054 (E_RNA)
where:
Base-Base interactions energy: -93.885
where: short stacking energy: -50.342
Base-Backbone interact. energy: 1.001
local terms energy: -114.037352
where:
bonds (distance) C4'-P energy: -32.738
bonds (distance) P-C4' energy: -36.849
flat angles C4'-P-C4' energy: -34.343
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: 6.721
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: 5
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -192.049427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.049427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.049427 (E_RNA)
where:
Base-Base interactions energy: -68.082
where: short stacking energy: -57.019
Base-Backbone interact. energy: -1.258
local terms energy: -122.709510
where:
bonds (distance) C4'-P energy: -34.440
bonds (distance) P-C4' energy: -35.754
flat angles C4'-P-C4' energy: -36.288
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: 0.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -187.088330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.088330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.088330 (E_RNA)
where:
Base-Base interactions energy: -71.640
where: short stacking energy: -62.660
Base-Backbone interact. energy: 0.487
local terms energy: -115.935236
where:
bonds (distance) C4'-P energy: -30.244
bonds (distance) P-C4' energy: -39.351
flat angles C4'-P-C4' energy: -23.870
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -577.849268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.849268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.849268 (E_RNA)
where:
Base-Base interactions energy: -355.456
where: short stacking energy: -199.596
Base-Backbone interact. energy: -0.468
local terms energy: -221.925267
where:
bonds (distance) C4'-P energy: -38.949
bonds (distance) P-C4' energy: -51.590
flat angles C4'-P-C4' energy: -44.818
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: -55.914
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: 11
Temperature: 0.950000
Total energy: -516.796649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.796649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.796649 (E_RNA)
where:
Base-Base interactions energy: -309.523
where: short stacking energy: -160.292
Base-Backbone interact. energy: 0.377
local terms energy: -207.651105
where:
bonds (distance) C4'-P energy: -37.396
bonds (distance) P-C4' energy: -42.108
flat angles C4'-P-C4' energy: -46.005
flat angles P-C4'-P energy: -32.489
tors. eta vs tors. theta energy: -49.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -390.613766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.613766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.613766 (E_RNA)
where:
Base-Base interactions energy: -206.914
where: short stacking energy: -133.493
Base-Backbone interact. energy: -2.394
local terms energy: -181.306105
where:
bonds (distance) C4'-P energy: -38.333
bonds (distance) P-C4' energy: -43.223
flat angles C4'-P-C4' energy: -43.573
flat angles P-C4'-P energy: -31.192
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: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -354.897443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.897443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.897443 (E_RNA)
where:
Base-Base interactions energy: -187.380
where: short stacking energy: -118.659
Base-Backbone interact. energy: -1.380
local terms energy: -166.136848
where:
bonds (distance) C4'-P energy: -48.358
bonds (distance) P-C4' energy: -43.404
flat angles C4'-P-C4' energy: -40.275
flat angles P-C4'-P energy: -23.974
tors. eta vs tors. theta energy: -10.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -380.905083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.905083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.905083 (E_RNA)
where:
Base-Base interactions energy: -198.793
where: short stacking energy: -105.442
Base-Backbone interact. energy: -2.087
local terms energy: -180.024733
where:
bonds (distance) C4'-P energy: -33.900
bonds (distance) P-C4' energy: -47.199
flat angles C4'-P-C4' energy: -50.492
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -322.782390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.782390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.782390 (E_RNA)
where:
Base-Base interactions energy: -168.603
where: short stacking energy: -92.984
Base-Backbone interact. energy: -0.575
local terms energy: -153.604185
where:
bonds (distance) C4'-P energy: -41.832
bonds (distance) P-C4' energy: -37.811
flat angles C4'-P-C4' energy: -37.895
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -235.044956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.044956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.044956 (E_RNA)
where:
Base-Base interactions energy: -86.582
where: short stacking energy: -68.667
Base-Backbone interact. energy: 1.007
local terms energy: -149.469573
where:
bonds (distance) C4'-P energy: -36.857
bonds (distance) P-C4' energy: -37.775
flat angles C4'-P-C4' energy: -44.493
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -8.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -208.185410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.185410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.185410 (E_RNA)
where:
Base-Base interactions energy: -72.849
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.809
local terms energy: -134.528115
where:
bonds (distance) C4'-P energy: -33.910
bonds (distance) P-C4' energy: -39.856
flat angles C4'-P-C4' energy: -40.184
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -192.673431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.673431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.673431 (E_RNA)
where:
Base-Base interactions energy: -74.565
where: short stacking energy: -62.644
Base-Backbone interact. energy: -1.698
local terms energy: -116.409622
where:
bonds (distance) C4'-P energy: -27.142
bonds (distance) P-C4' energy: -47.782
flat angles C4'-P-C4' energy: -30.789
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: 8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -185.146274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.146274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.146274 (E_RNA)
where:
Base-Base interactions energy: -63.935
where: short stacking energy: -60.752
Base-Backbone interact. energy: -0.578
local terms energy: -120.633495
where:
bonds (distance) C4'-P energy: -37.583
bonds (distance) P-C4' energy: -28.924
flat angles C4'-P-C4' energy: -36.213
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -555.267821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.267821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.267821 (E_RNA)
where:
Base-Base interactions energy: -334.193
where: short stacking energy: -179.232
Base-Backbone interact. energy: 1.174
local terms energy: -222.248597
where:
bonds (distance) C4'-P energy: -42.086
bonds (distance) P-C4' energy: -49.176
flat angles C4'-P-C4' energy: -47.530
flat angles P-C4'-P energy: -36.446
tors. eta vs tors. theta energy: -47.011
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: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -529.348715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.348715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.348715 (E_RNA)
where:
Base-Base interactions energy: -322.745
where: short stacking energy: -138.403
Base-Backbone interact. energy: -0.563
local terms energy: -206.040821
where:
bonds (distance) C4'-P energy: -42.087
bonds (distance) P-C4' energy: -39.376
flat angles C4'-P-C4' energy: -49.098
flat angles P-C4'-P energy: -35.578
tors. eta vs tors. theta energy: -39.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -409.121994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.121994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.121994 (E_RNA)
where:
Base-Base interactions energy: -228.633
where: short stacking energy: -123.746
Base-Backbone interact. energy: -2.722
local terms energy: -177.766651
where:
bonds (distance) C4'-P energy: -38.602
bonds (distance) P-C4' energy: -45.956
flat angles C4'-P-C4' energy: -47.485
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -23.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -340.559988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.559988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.559988 (E_RNA)
where:
Base-Base interactions energy: -165.168
where: short stacking energy: -112.433
Base-Backbone interact. energy: -0.590
local terms energy: -174.801336
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -45.618
flat angles C4'-P-C4' energy: -35.752
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -411.027469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.027469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.027469 (E_RNA)
where:
Base-Base interactions energy: -233.105
where: short stacking energy: -140.650
Base-Backbone interact. energy: -0.385
local terms energy: -177.537781
where:
bonds (distance) C4'-P energy: -45.040
bonds (distance) P-C4' energy: -47.020
flat angles C4'-P-C4' energy: -36.939
flat angles P-C4'-P energy: -18.060
tors. eta vs tors. theta energy: -30.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -329.368909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.368909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.368909 (E_RNA)
where:
Base-Base interactions energy: -176.748
where: short stacking energy: -108.942
Base-Backbone interact. energy: -1.519
local terms energy: -151.101938
where:
bonds (distance) C4'-P energy: -42.710
bonds (distance) P-C4' energy: -32.212
flat angles C4'-P-C4' energy: -29.557
flat angles P-C4'-P energy: -26.603
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -223.672438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.672438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.672438 (E_RNA)
where:
Base-Base interactions energy: -90.818
where: short stacking energy: -56.552
Base-Backbone interact. energy: 0.260
local terms energy: -133.114302
where:
bonds (distance) C4'-P energy: -42.736
bonds (distance) P-C4' energy: -40.384
flat angles C4'-P-C4' energy: -31.436
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: 2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -202.794435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.794435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.794435 (E_RNA)
where:
Base-Base interactions energy: -74.050
where: short stacking energy: -55.653
Base-Backbone interact. energy: 0.850
local terms energy: -129.594322
where:
bonds (distance) C4'-P energy: -34.480
bonds (distance) P-C4' energy: -44.968
flat angles C4'-P-C4' energy: -32.613
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -196.925111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.925111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.925111 (E_RNA)
where:
Base-Base interactions energy: -66.792
where: short stacking energy: -55.455
Base-Backbone interact. energy: -0.408
local terms energy: -129.725479
where:
bonds (distance) C4'-P energy: -34.920
bonds (distance) P-C4' energy: -36.633
flat angles C4'-P-C4' energy: -34.262
flat angles P-C4'-P energy: -17.646
tors. eta vs tors. theta energy: -6.265
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: 2
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -173.655501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.655501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.655501 (E_RNA)
where:
Base-Base interactions energy: -48.725
where: short stacking energy: -47.488
Base-Backbone interact. energy: -0.395
local terms energy: -124.535599
where:
bonds (distance) C4'-P energy: -39.302
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: 1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -552.665776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.665776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.665776 (E_RNA)
where:
Base-Base interactions energy: -361.000
where: short stacking energy: -180.122
Base-Backbone interact. energy: -0.370
local terms energy: -191.296627
where:
bonds (distance) C4'-P energy: -44.157
bonds (distance) P-C4' energy: -33.271
flat angles C4'-P-C4' energy: -38.394
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -47.204
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: 13
Temperature: 0.950000
Total energy: -554.104387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.104387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.104387 (E_RNA)
where:
Base-Base interactions energy: -339.340
where: short stacking energy: -157.220
Base-Backbone interact. energy: -1.219
local terms energy: -213.545319
where:
bonds (distance) C4'-P energy: -45.359
bonds (distance) P-C4' energy: -44.812
flat angles C4'-P-C4' energy: -47.789
flat angles P-C4'-P energy: -30.526
tors. eta vs tors. theta energy: -45.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -415.838663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.838663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.838663 (E_RNA)
where:
Base-Base interactions energy: -247.054
where: short stacking energy: -130.903
Base-Backbone interact. energy: -1.042
local terms energy: -167.743299
where:
bonds (distance) C4'-P energy: -38.176
bonds (distance) P-C4' energy: -47.311
flat angles C4'-P-C4' energy: -38.027
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: -20.033
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: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -402.483913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.483913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.483913 (E_RNA)
where:
Base-Base interactions energy: -239.714
where: short stacking energy: -121.043
Base-Backbone interact. energy: -1.200
local terms energy: -161.569780
where:
bonds (distance) C4'-P energy: -37.408
bonds (distance) P-C4' energy: -41.139
flat angles C4'-P-C4' energy: -37.996
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -20.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -321.010993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.010993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.010993 (E_RNA)
where:
Base-Base interactions energy: -153.469
where: short stacking energy: -98.733
Base-Backbone interact. energy: -2.051
local terms energy: -165.490739
where:
bonds (distance) C4'-P energy: -37.418
bonds (distance) P-C4' energy: -43.905
flat angles C4'-P-C4' energy: -32.638
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -26.424
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: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -322.870388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.870388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.870388 (E_RNA)
where:
Base-Base interactions energy: -172.296
where: short stacking energy: -107.021
Base-Backbone interact. energy: -1.016
local terms energy: -149.558698
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -35.276
flat angles P-C4'-P energy: -29.972
tors. eta vs tors. theta energy: -21.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -232.304269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.304269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.304269 (E_RNA)
where:
Base-Base interactions energy: -101.510
where: short stacking energy: -78.791
Base-Backbone interact. energy: 2.227
local terms energy: -133.020896
where:
bonds (distance) C4'-P energy: -36.696
bonds (distance) P-C4' energy: -40.511
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: -3.794
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: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -215.321602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.321602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.321602 (E_RNA)
where:
Base-Base interactions energy: -72.960
where: short stacking energy: -64.037
Base-Backbone interact. energy: -0.655
local terms energy: -141.706675
where:
bonds (distance) C4'-P energy: -44.693
bonds (distance) P-C4' energy: -40.816
flat angles C4'-P-C4' energy: -34.110
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -5.705
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: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -204.693894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.693894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.693894 (E_RNA)
where:
Base-Base interactions energy: -81.454
where: short stacking energy: -53.006
Base-Backbone interact. energy: -0.325
local terms energy: -122.914191
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -36.855
flat angles C4'-P-C4' energy: -32.299
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: 1.680
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: 2
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -180.144571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.144571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.144571 (E_RNA)
where:
Base-Base interactions energy: -73.780
where: short stacking energy: -66.086
Base-Backbone interact. energy: -0.688
local terms energy: -105.676720
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -40.410
flat angles C4'-P-C4' energy: -26.299
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: 12.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -556.783179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.783179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.783179 (E_RNA)
where:
Base-Base interactions energy: -337.677
where: short stacking energy: -174.907
Base-Backbone interact. energy: 2.298
local terms energy: -221.403655
where:
bonds (distance) C4'-P energy: -46.859
bonds (distance) P-C4' energy: -42.721
flat angles C4'-P-C4' energy: -48.233
flat angles P-C4'-P energy: -32.256
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: 14
Temperature: 0.950000
Total energy: -544.621285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.621285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.621285 (E_RNA)
where:
Base-Base interactions energy: -334.992
where: short stacking energy: -174.172
Base-Backbone interact. energy: 0.450
local terms energy: -210.079834
where:
bonds (distance) C4'-P energy: -43.700
bonds (distance) P-C4' energy: -42.126
flat angles C4'-P-C4' energy: -46.996
flat angles P-C4'-P energy: -30.796
tors. eta vs tors. theta energy: -46.462
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: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -458.317318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.317318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.317318 (E_RNA)
where:
Base-Base interactions energy: -277.056
where: short stacking energy: -145.978
Base-Backbone interact. energy: -0.056
local terms energy: -181.205194
where:
bonds (distance) C4'-P energy: -34.210
bonds (distance) P-C4' energy: -42.937
flat angles C4'-P-C4' energy: -47.076
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -34.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -392.965858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.965858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.965858 (E_RNA)
where:
Base-Base interactions energy: -221.667
where: short stacking energy: -113.203
Base-Backbone interact. energy: -1.094
local terms energy: -170.204658
where:
bonds (distance) C4'-P energy: -36.744
bonds (distance) P-C4' energy: -38.682
flat angles C4'-P-C4' energy: -44.760
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -26.575
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: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -330.926194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.926194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.926194 (E_RNA)
where:
Base-Base interactions energy: -174.447
where: short stacking energy: -104.163
Base-Backbone interact. energy: 0.125
local terms energy: -156.603833
where:
bonds (distance) C4'-P energy: -31.151
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -38.732
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -265.804252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.804252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.804252 (E_RNA)
where:
Base-Base interactions energy: -106.340
where: short stacking energy: -94.858
Base-Backbone interact. energy: -1.542
local terms energy: -157.921947
where:
bonds (distance) C4'-P energy: -41.045
bonds (distance) P-C4' energy: -40.693
flat angles C4'-P-C4' energy: -40.035
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: -12.110
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: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -232.719567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.719567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.719567 (E_RNA)
where:
Base-Base interactions energy: -87.163
where: short stacking energy: -44.866
Base-Backbone interact. energy: 2.535
local terms energy: -148.091463
where:
bonds (distance) C4'-P energy: -39.163
bonds (distance) P-C4' energy: -38.837
flat angles C4'-P-C4' energy: -35.445
flat angles P-C4'-P energy: -23.834
tors. eta vs tors. theta energy: -10.812
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: 14
Temperature: 1.250000
Total energy: -225.776408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.776408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.776408 (E_RNA)
where:
Base-Base interactions energy: -107.197
where: short stacking energy: -65.354
Base-Backbone interact. energy: -1.019
local terms energy: -117.559964
where:
bonds (distance) C4'-P energy: -35.588
bonds (distance) P-C4' energy: -42.800
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -213.335274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.335274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.335274 (E_RNA)
where:
Base-Base interactions energy: -79.671
where: short stacking energy: -75.161
Base-Backbone interact. energy: -1.203
local terms energy: -132.461345
where:
bonds (distance) C4'-P energy: -35.944
bonds (distance) P-C4' energy: -41.853
flat angles C4'-P-C4' energy: -28.607
flat angles P-C4'-P energy: -17.051
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -200.585785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.585785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.585785 (E_RNA)
where:
Base-Base interactions energy: -66.326
where: short stacking energy: -44.706
Base-Backbone interact. energy: -0.391
local terms energy: -133.869091
where:
bonds (distance) C4'-P energy: -32.564
bonds (distance) P-C4' energy: -42.234
flat angles C4'-P-C4' energy: -34.085
flat angles P-C4'-P energy: -24.561
tors. eta vs tors. theta energy: -0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -567.264647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.264647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.264647 (E_RNA)
where:
Base-Base interactions energy: -350.033
where: short stacking energy: -171.171
Base-Backbone interact. energy: 0.863
local terms energy: -218.094072
where:
bonds (distance) C4'-P energy: -44.529
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -46.752
flat angles P-C4'-P energy: -35.436
tors. eta vs tors. theta energy: -51.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -558.619290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.619290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.619290 (E_RNA)
where:
Base-Base interactions energy: -348.075
where: short stacking energy: -177.410
Base-Backbone interact. energy: 0.510
local terms energy: -211.054168
where:
bonds (distance) C4'-P energy: -40.523
bonds (distance) P-C4' energy: -44.647
flat angles C4'-P-C4' energy: -46.002
flat angles P-C4'-P energy: -28.723
tors. eta vs tors. theta energy: -51.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -455.421186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.421186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.421186 (E_RNA)
where:
Base-Base interactions energy: -272.270
where: short stacking energy: -133.174
Base-Backbone interact. energy: 3.086
local terms energy: -186.237192
where:
bonds (distance) C4'-P energy: -43.039
bonds (distance) P-C4' energy: -45.909
flat angles C4'-P-C4' energy: -41.063
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: -30.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -408.625561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.625561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.625561 (E_RNA)
where:
Base-Base interactions energy: -258.804
where: short stacking energy: -116.992
Base-Backbone interact. energy: -1.683
local terms energy: -148.138350
where:
bonds (distance) C4'-P energy: -38.609
bonds (distance) P-C4' energy: -43.342
flat angles C4'-P-C4' energy: -34.333
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -374.208808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.208808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.208808 (E_RNA)
where:
Base-Base interactions energy: -203.568
where: short stacking energy: -109.830
Base-Backbone interact. energy: -0.136
local terms energy: -170.504613
where:
bonds (distance) C4'-P energy: -48.578
bonds (distance) P-C4' energy: -34.603
flat angles C4'-P-C4' energy: -37.333
flat angles P-C4'-P energy: -25.775
tors. eta vs tors. theta energy: -24.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -262.066983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.066983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.066983 (E_RNA)
where:
Base-Base interactions energy: -116.964
where: short stacking energy: -102.727
Base-Backbone interact. energy: -0.395
local terms energy: -144.708162
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -37.541
flat angles C4'-P-C4' energy: -38.885
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -261.946446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.946446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.946446 (E_RNA)
where:
Base-Base interactions energy: -126.690
where: short stacking energy: -87.505
Base-Backbone interact. energy: 0.286
local terms energy: -135.542162
where:
bonds (distance) C4'-P energy: -34.317
bonds (distance) P-C4' energy: -32.293
flat angles C4'-P-C4' energy: -34.997
flat angles P-C4'-P energy: -26.932
tors. eta vs tors. theta energy: -7.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -200.470808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.470808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.470808 (E_RNA)
where:
Base-Base interactions energy: -58.515
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.671
local terms energy: -141.285083
where:
bonds (distance) C4'-P energy: -39.647
bonds (distance) P-C4' energy: -34.888
flat angles C4'-P-C4' energy: -44.715
flat angles P-C4'-P energy: -21.672
tors. eta vs tors. theta energy: -0.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -191.475934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.475934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.475934 (E_RNA)
where:
Base-Base interactions energy: -59.736
where: short stacking energy: -51.042
Base-Backbone interact. energy: 2.695
local terms energy: -134.434179
where:
bonds (distance) C4'-P energy: -38.650
bonds (distance) P-C4' energy: -41.040
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: 2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -184.991178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.991178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.991178 (E_RNA)
where:
Base-Base interactions energy: -55.394
where: short stacking energy: -44.659
Base-Backbone interact. energy: -0.619
local terms energy: -128.978417
where:
bonds (distance) C4'-P energy: -40.898
bonds (distance) P-C4' energy: -40.786
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -1.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -555.799860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.799860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.799860 (E_RNA)
where:
Base-Base interactions energy: -352.549
where: short stacking energy: -182.545
Base-Backbone interact. energy: -0.137
local terms energy: -203.114461
where:
bonds (distance) C4'-P energy: -39.848
bonds (distance) P-C4' energy: -44.910
flat angles C4'-P-C4' energy: -41.645
flat angles P-C4'-P energy: -27.538
tors. eta vs tors. theta energy: -49.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -564.653188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.653188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.653188 (E_RNA)
where:
Base-Base interactions energy: -341.745
where: short stacking energy: -174.210
Base-Backbone interact. energy: -1.290
local terms energy: -221.617615
where:
bonds (distance) C4'-P energy: -49.415
bonds (distance) P-C4' energy: -44.316
flat angles C4'-P-C4' energy: -45.129
flat angles P-C4'-P energy: -31.178
tors. eta vs tors. theta energy: -51.578
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: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -403.495465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.495465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.495465 (E_RNA)
where:
Base-Base interactions energy: -226.712
where: short stacking energy: -132.993
Base-Backbone interact. energy: 0.957
local terms energy: -177.740503
where:
bonds (distance) C4'-P energy: -40.442
bonds (distance) P-C4' energy: -44.116
flat angles C4'-P-C4' energy: -42.010
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: -27.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -469.380633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.380633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.380633 (E_RNA)
where:
Base-Base interactions energy: -271.477
where: short stacking energy: -144.406
Base-Backbone interact. energy: 0.304
local terms energy: -198.207977
where:
bonds (distance) C4'-P energy: -36.362
bonds (distance) P-C4' energy: -48.493
flat angles C4'-P-C4' energy: -41.540
flat angles P-C4'-P energy: -28.795
tors. eta vs tors. theta energy: -43.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -386.404260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.404260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.404260 (E_RNA)
where:
Base-Base interactions energy: -204.844
where: short stacking energy: -117.139
Base-Backbone interact. energy: -0.236
local terms energy: -181.324676
where:
bonds (distance) C4'-P energy: -40.969
bonds (distance) P-C4' energy: -38.712
flat angles C4'-P-C4' energy: -38.957
flat angles P-C4'-P energy: -30.544
tors. eta vs tors. theta energy: -32.143
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: 16
Temperature: 1.150000
Total energy: -244.166628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.166628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.166628 (E_RNA)
where:
Base-Base interactions energy: -97.309
where: short stacking energy: -71.185
Base-Backbone interact. energy: 0.939
local terms energy: -147.796645
where:
bonds (distance) C4'-P energy: -35.175
bonds (distance) P-C4' energy: -42.386
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: -11.029
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: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -228.171287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.171287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.171287 (E_RNA)
where:
Base-Base interactions energy: -85.115
where: short stacking energy: -71.477
Base-Backbone interact. energy: -0.203
local terms energy: -142.852923
where:
bonds (distance) C4'-P energy: -33.880
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -33.440
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -261.308941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.308941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.308941 (E_RNA)
where:
Base-Base interactions energy: -109.129
where: short stacking energy: -71.547
Base-Backbone interact. energy: -0.580
local terms energy: -151.600580
where:
bonds (distance) C4'-P energy: -46.534
bonds (distance) P-C4' energy: -39.719
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -20.382
tors. eta vs tors. theta energy: -11.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -192.331378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.331378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.331378 (E_RNA)
where:
Base-Base interactions energy: -57.109
where: short stacking energy: -57.109
Base-Backbone interact. energy: -0.842
local terms energy: -134.380747
where:
bonds (distance) C4'-P energy: -41.434
bonds (distance) P-C4' energy: -34.708
flat angles C4'-P-C4' energy: -34.530
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -7.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -187.035917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.035917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.035917 (E_RNA)
where:
Base-Base interactions energy: -52.471
where: short stacking energy: -52.440
Base-Backbone interact. energy: -0.393
local terms energy: -134.172482
where:
bonds (distance) C4'-P energy: -42.818
bonds (distance) P-C4' energy: -34.224
flat angles C4'-P-C4' energy: -32.541
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: -2.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -590.334905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.334905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.334905 (E_RNA)
where:
Base-Base interactions energy: -372.522
where: short stacking energy: -187.481
Base-Backbone interact. energy: -0.164
local terms energy: -217.648508
where:
bonds (distance) C4'-P energy: -43.634
bonds (distance) P-C4' energy: -46.746
flat angles C4'-P-C4' energy: -45.246
flat angles P-C4'-P energy: -29.016
tors. eta vs tors. theta energy: -53.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -581.831204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.831204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.831204 (E_RNA)
where:
Base-Base interactions energy: -376.850
where: short stacking energy: -182.298
Base-Backbone interact. energy: -0.538
local terms energy: -204.442975
where:
bonds (distance) C4'-P energy: -48.897
bonds (distance) P-C4' energy: -43.553
flat angles C4'-P-C4' energy: -37.862
flat angles P-C4'-P energy: -27.299
tors. eta vs tors. theta energy: -46.832
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: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -404.057041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.057041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.057041 (E_RNA)
where:
Base-Base interactions energy: -237.530
where: short stacking energy: -112.722
Base-Backbone interact. energy: -1.397
local terms energy: -165.129300
where:
bonds (distance) C4'-P energy: -34.228
bonds (distance) P-C4' energy: -46.725
flat angles C4'-P-C4' energy: -35.780
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -449.141213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.141213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.141213 (E_RNA)
where:
Base-Base interactions energy: -276.886
where: short stacking energy: -146.037
Base-Backbone interact. energy: 1.122
local terms energy: -173.377061
where:
bonds (distance) C4'-P energy: -49.269
bonds (distance) P-C4' energy: -38.468
flat angles C4'-P-C4' energy: -30.043
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -34.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -386.863663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.863663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.863663 (E_RNA)
where:
Base-Base interactions energy: -230.768
where: short stacking energy: -142.110
Base-Backbone interact. energy: -1.002
local terms energy: -155.093647
where:
bonds (distance) C4'-P energy: -33.051
bonds (distance) P-C4' energy: -37.410
flat angles C4'-P-C4' energy: -39.143
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -31.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -244.178139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.178139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.178139 (E_RNA)
where:
Base-Base interactions energy: -103.675
where: short stacking energy: -90.972
Base-Backbone interact. energy: 0.959
local terms energy: -141.462329
where:
bonds (distance) C4'-P energy: -29.992
bonds (distance) P-C4' energy: -41.487
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -25.396
tors. eta vs tors. theta energy: -15.419
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: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -222.324559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.324559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.324559 (E_RNA)
where:
Base-Base interactions energy: -80.842
where: short stacking energy: -74.988
Base-Backbone interact. energy: -0.512
local terms energy: -140.970986
where:
bonds (distance) C4'-P energy: -42.526
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -30.691
flat angles P-C4'-P energy: -16.385
tors. eta vs tors. theta energy: -10.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -279.974770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.974770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.974770 (E_RNA)
where:
Base-Base interactions energy: -141.564
where: short stacking energy: -96.083
Base-Backbone interact. energy: -0.650
local terms energy: -137.760019
where:
bonds (distance) C4'-P energy: -30.226
bonds (distance) P-C4' energy: -41.069
flat angles C4'-P-C4' energy: -38.135
flat angles P-C4'-P energy: -20.890
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -227.552431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.552431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.552431 (E_RNA)
where:
Base-Base interactions energy: -109.664
where: short stacking energy: -67.718
Base-Backbone interact. energy: -1.008
local terms energy: -116.880823
where:
bonds (distance) C4'-P energy: -36.323
bonds (distance) P-C4' energy: -37.665
flat angles C4'-P-C4' energy: -20.376
flat angles P-C4'-P energy: -22.268
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: 2
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -181.098628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.098628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.098628 (E_RNA)
where:
Base-Base interactions energy: -73.309
where: short stacking energy: -60.177
Base-Backbone interact. energy: 1.813
local terms energy: -109.602560
where:
bonds (distance) C4'-P energy: -29.843
bonds (distance) P-C4' energy: -43.878
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: 0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -602.426507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.426507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.426507 (E_RNA)
where:
Base-Base interactions energy: -383.552
where: short stacking energy: -186.613
Base-Backbone interact. energy: 0.732
local terms energy: -219.606441
where:
bonds (distance) C4'-P energy: -33.011
bonds (distance) P-C4' energy: -48.021
flat angles C4'-P-C4' energy: -49.523
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: -55.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -569.190591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.190591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.190591 (E_RNA)
where:
Base-Base interactions energy: -347.196
where: short stacking energy: -184.213
Base-Backbone interact. energy: -0.902
local terms energy: -221.092070
where:
bonds (distance) C4'-P energy: -45.017
bonds (distance) P-C4' energy: -42.888
flat angles C4'-P-C4' energy: -44.400
flat angles P-C4'-P energy: -30.570
tors. eta vs tors. theta energy: -58.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -465.254436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.254436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.254436 (E_RNA)
where:
Base-Base interactions energy: -280.589
where: short stacking energy: -148.195
Base-Backbone interact. energy: 0.695
local terms energy: -185.359763
where:
bonds (distance) C4'-P energy: -36.191
bonds (distance) P-C4' energy: -45.459
flat angles C4'-P-C4' energy: -39.219
flat angles P-C4'-P energy: -29.930
tors. eta vs tors. theta energy: -34.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -382.171690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.171690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.171690 (E_RNA)
where:
Base-Base interactions energy: -201.870
where: short stacking energy: -129.026
Base-Backbone interact. energy: -1.027
local terms energy: -179.274011
where:
bonds (distance) C4'-P energy: -38.743
bonds (distance) P-C4' energy: -38.474
flat angles C4'-P-C4' energy: -46.370
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -27.423
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: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -377.558581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.558581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.558581 (E_RNA)
where:
Base-Base interactions energy: -204.899
where: short stacking energy: -107.391
Base-Backbone interact. energy: 0.107
local terms energy: -172.766889
where:
bonds (distance) C4'-P energy: -40.905
bonds (distance) P-C4' energy: -45.431
flat angles C4'-P-C4' energy: -49.301
flat angles P-C4'-P energy: -17.995
tors. eta vs tors. theta energy: -19.135
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: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -246.288576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.288576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.288576 (E_RNA)
where:
Base-Base interactions energy: -99.515
where: short stacking energy: -70.863
Base-Backbone interact. energy: -0.843
local terms energy: -145.931042
where:
bonds (distance) C4'-P energy: -33.788
bonds (distance) P-C4' energy: -39.940
flat angles C4'-P-C4' energy: -34.440
flat angles P-C4'-P energy: -25.427
tors. eta vs tors. theta energy: -12.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -245.087066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.087066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.087066 (E_RNA)
where:
Base-Base interactions energy: -93.420
where: short stacking energy: -82.947
Base-Backbone interact. energy: -0.660
local terms energy: -151.007626
where:
bonds (distance) C4'-P energy: -34.533
bonds (distance) P-C4' energy: -37.834
flat angles C4'-P-C4' energy: -36.780
flat angles P-C4'-P energy: -28.232
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -235.210030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.210030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.210030 (E_RNA)
where:
Base-Base interactions energy: -113.163
where: short stacking energy: -74.848
Base-Backbone interact. energy: 0.399
local terms energy: -122.445488
where:
bonds (distance) C4'-P energy: -35.519
bonds (distance) P-C4' energy: -35.822
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -214.606612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.606612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.606612 (E_RNA)
where:
Base-Base interactions energy: -101.469
where: short stacking energy: -50.706
Base-Backbone interact. energy: -1.270
local terms energy: -111.867578
where:
bonds (distance) C4'-P energy: -33.322
bonds (distance) P-C4' energy: -36.005
flat angles C4'-P-C4' energy: -37.380
flat angles P-C4'-P energy: -16.974
tors. eta vs tors. theta energy: 11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -179.176624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.176624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.176624 (E_RNA)
where:
Base-Base interactions energy: -54.879
where: short stacking energy: -45.470
Base-Backbone interact. energy: 1.036
local terms energy: -125.333592
where:
bonds (distance) C4'-P energy: -26.074
bonds (distance) P-C4' energy: -36.280
flat angles C4'-P-C4' energy: -38.822
flat angles P-C4'-P energy: -22.457
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -581.622481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.622481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.622481 (E_RNA)
where:
Base-Base interactions energy: -353.859
where: short stacking energy: -175.053
Base-Backbone interact. energy: -0.618
local terms energy: -227.145720
where:
bonds (distance) C4'-P energy: -44.620
bonds (distance) P-C4' energy: -44.510
flat angles C4'-P-C4' energy: -49.509
flat angles P-C4'-P energy: -33.790
tors. eta vs tors. theta energy: -54.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -577.224074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.224074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.224074 (E_RNA)
where:
Base-Base interactions energy: -363.745
where: short stacking energy: -174.777
Base-Backbone interact. energy: -0.956
local terms energy: -212.522649
where:
bonds (distance) C4'-P energy: -41.556
bonds (distance) P-C4' energy: -47.235
flat angles C4'-P-C4' energy: -51.023
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -46.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -489.021985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.021985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.021985 (E_RNA)
where:
Base-Base interactions energy: -307.869
where: short stacking energy: -149.056
Base-Backbone interact. energy: -0.482
local terms energy: -180.670726
where:
bonds (distance) C4'-P energy: -36.844
bonds (distance) P-C4' energy: -41.433
flat angles C4'-P-C4' energy: -48.478
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -32.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -405.728917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.728917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.728917 (E_RNA)
where:
Base-Base interactions energy: -212.664
where: short stacking energy: -133.225
Base-Backbone interact. energy: -0.655
local terms energy: -192.409855
where:
bonds (distance) C4'-P energy: -39.028
bonds (distance) P-C4' energy: -44.969
flat angles C4'-P-C4' energy: -40.332
flat angles P-C4'-P energy: -28.021
tors. eta vs tors. theta energy: -40.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -366.132119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.132119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.132119 (E_RNA)
where:
Base-Base interactions energy: -213.722
where: short stacking energy: -119.815
Base-Backbone interact. energy: 3.592
local terms energy: -156.002363
where:
bonds (distance) C4'-P energy: -47.724
bonds (distance) P-C4' energy: -29.892
flat angles C4'-P-C4' energy: -41.323
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -18.310
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: 7
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -240.106389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.106389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.106389 (E_RNA)
where:
Base-Base interactions energy: -85.013
where: short stacking energy: -72.225
Base-Backbone interact. energy: 0.114
local terms energy: -155.207450
where:
bonds (distance) C4'-P energy: -40.294
bonds (distance) P-C4' energy: -39.363
flat angles C4'-P-C4' energy: -43.016
flat angles P-C4'-P energy: -26.903
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -211.096470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.096470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.096470 (E_RNA)
where:
Base-Base interactions energy: -65.926
where: short stacking energy: -60.292
Base-Backbone interact. energy: 1.292
local terms energy: -146.462285
where:
bonds (distance) C4'-P energy: -39.454
bonds (distance) P-C4' energy: -46.087
flat angles C4'-P-C4' energy: -34.825
flat angles P-C4'-P energy: -24.405
tors. eta vs tors. theta energy: -1.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -257.521095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.521095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.521095 (E_RNA)
where:
Base-Base interactions energy: -140.781
where: short stacking energy: -94.963
Base-Backbone interact. energy: 2.294
local terms energy: -119.033654
where:
bonds (distance) C4'-P energy: -34.374
bonds (distance) P-C4' energy: -29.126
flat angles C4'-P-C4' energy: -31.493
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -224.684036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.684036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.684036 (E_RNA)
where:
Base-Base interactions energy: -82.682
where: short stacking energy: -53.693
Base-Backbone interact. energy: -0.367
local terms energy: -141.634655
where:
bonds (distance) C4'-P energy: -45.329
bonds (distance) P-C4' energy: -40.724
flat angles C4'-P-C4' energy: -33.962
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -0.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -176.874694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.874694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.874694 (E_RNA)
where:
Base-Base interactions energy: -58.109
where: short stacking energy: -56.310
Base-Backbone interact. energy: 2.235
local terms energy: -121.000924
where:
bonds (distance) C4'-P energy: -40.222
bonds (distance) P-C4' energy: -39.214
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: 8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -581.934440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.934440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.934440 (E_RNA)
where:
Base-Base interactions energy: -373.434
where: short stacking energy: -176.637
Base-Backbone interact. energy: -1.138
local terms energy: -207.362065
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -45.587
flat angles C4'-P-C4' energy: -49.238
flat angles P-C4'-P energy: -28.369
tors. eta vs tors. theta energy: -49.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -546.402854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.402854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.402854 (E_RNA)
where:
Base-Base interactions energy: -351.854
where: short stacking energy: -171.250
Base-Backbone interact. energy: -1.054
local terms energy: -193.494601
where:
bonds (distance) C4'-P energy: -34.213
bonds (distance) P-C4' energy: -42.831
flat angles C4'-P-C4' energy: -44.071
flat angles P-C4'-P energy: -25.782
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: 3, replica: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -474.171407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.171407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.171407 (E_RNA)
where:
Base-Base interactions energy: -272.445
where: short stacking energy: -143.799
Base-Backbone interact. energy: -2.262
local terms energy: -199.464373
where:
bonds (distance) C4'-P energy: -41.991
bonds (distance) P-C4' energy: -44.372
flat angles C4'-P-C4' energy: -44.797
flat angles P-C4'-P energy: -32.413
tors. eta vs tors. theta energy: -35.892
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: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -425.200068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.200068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.200068 (E_RNA)
where:
Base-Base interactions energy: -244.513
where: short stacking energy: -130.711
Base-Backbone interact. energy: -1.526
local terms energy: -179.160715
where:
bonds (distance) C4'-P energy: -36.875
bonds (distance) P-C4' energy: -45.107
flat angles C4'-P-C4' energy: -45.184
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: -27.691
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: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -407.712178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.712178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.712178 (E_RNA)
where:
Base-Base interactions energy: -235.575
where: short stacking energy: -111.400
Base-Backbone interact. energy: 0.383
local terms energy: -172.520475
where:
bonds (distance) C4'-P energy: -46.330
bonds (distance) P-C4' energy: -44.997
flat angles C4'-P-C4' energy: -35.159
flat angles P-C4'-P energy: -31.162
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -325.853699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.853699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.853699 (E_RNA)
where:
Base-Base interactions energy: -168.125
where: short stacking energy: -101.659
Base-Backbone interact. energy: 0.485
local terms energy: -158.214291
where:
bonds (distance) C4'-P energy: -38.065
bonds (distance) P-C4' energy: -35.415
flat angles C4'-P-C4' energy: -32.424
flat angles P-C4'-P energy: -28.565
tors. eta vs tors. theta energy: -23.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -339.592625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.592625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.592625 (E_RNA)
where:
Base-Base interactions energy: -178.524
where: short stacking energy: -100.399
Base-Backbone interact. energy: 0.101
local terms energy: -161.169923
where:
bonds (distance) C4'-P energy: -44.458
bonds (distance) P-C4' energy: -41.205
flat angles C4'-P-C4' energy: -39.177
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -194.902813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.902813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.902813 (E_RNA)
where:
Base-Base interactions energy: -70.823
where: short stacking energy: -62.731
Base-Backbone interact. energy: 1.371
local terms energy: -125.450370
where:
bonds (distance) C4'-P energy: -36.907
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -37.961
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -0.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -203.968680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.968680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.968680 (E_RNA)
where:
Base-Base interactions energy: -73.027
where: short stacking energy: -58.980
Base-Backbone interact. energy: -0.535
local terms energy: -130.407241
where:
bonds (distance) C4'-P energy: -35.005
bonds (distance) P-C4' energy: -32.808
flat angles C4'-P-C4' energy: -29.552
flat angles P-C4'-P energy: -24.341
tors. eta vs tors. theta energy: -8.701
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: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -183.670202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.670202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.670202 (E_RNA)
where:
Base-Base interactions energy: -52.965
where: short stacking energy: -32.238
Base-Backbone interact. energy: -0.755
local terms energy: -129.950810
where:
bonds (distance) C4'-P energy: -42.137
bonds (distance) P-C4' energy: -43.182
flat angles C4'-P-C4' energy: -38.372
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: 9.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -610.113129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.113129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.113129 (E_RNA)
where:
Base-Base interactions energy: -384.282
where: short stacking energy: -187.089
Base-Backbone interact. energy: 0.878
local terms energy: -226.708530
where:
bonds (distance) C4'-P energy: -52.702
bonds (distance) P-C4' energy: -42.604
flat angles C4'-P-C4' energy: -46.373
flat angles P-C4'-P energy: -28.180
tors. eta vs tors. theta energy: -56.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -559.585387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.585387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.585387 (E_RNA)
where:
Base-Base interactions energy: -356.488
where: short stacking energy: -172.580
Base-Backbone interact. energy: -0.337
local terms energy: -202.760286
where:
bonds (distance) C4'-P energy: -45.443
bonds (distance) P-C4' energy: -41.768
flat angles C4'-P-C4' energy: -45.011
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: -50.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -473.982421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.982421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.982421 (E_RNA)
where:
Base-Base interactions energy: -275.525
where: short stacking energy: -123.882
Base-Backbone interact. energy: -1.599
local terms energy: -196.858281
where:
bonds (distance) C4'-P energy: -44.745
bonds (distance) P-C4' energy: -40.910
flat angles C4'-P-C4' energy: -47.789
flat angles P-C4'-P energy: -28.660
tors. eta vs tors. theta energy: -34.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -457.532003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.532003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.532003 (E_RNA)
where:
Base-Base interactions energy: -284.079
where: short stacking energy: -153.641
Base-Backbone interact. energy: -0.272
local terms energy: -173.180963
where:
bonds (distance) C4'-P energy: -41.590
bonds (distance) P-C4' energy: -36.232
flat angles C4'-P-C4' energy: -37.650
flat angles P-C4'-P energy: -28.328
tors. eta vs tors. theta energy: -29.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -412.931872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.931872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.931872 (E_RNA)
where:
Base-Base interactions energy: -250.996
where: short stacking energy: -107.657
Base-Backbone interact. energy: -0.890
local terms energy: -161.046357
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -36.975
flat angles C4'-P-C4' energy: -40.190
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: -23.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -385.343531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.343531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.343531 (E_RNA)
where:
Base-Base interactions energy: -216.761
where: short stacking energy: -118.804
Base-Backbone interact. energy: -0.283
local terms energy: -168.299509
where:
bonds (distance) C4'-P energy: -31.445
bonds (distance) P-C4' energy: -45.172
flat angles C4'-P-C4' energy: -41.857
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -28.483
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: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -288.395056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.395056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.395056 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -67.381
Base-Backbone interact. energy: -0.742
local terms energy: -143.246210
where:
bonds (distance) C4'-P energy: -32.471
bonds (distance) P-C4' energy: -39.809
flat angles C4'-P-C4' energy: -28.367
flat angles P-C4'-P energy: -35.231
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -230.699252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.699252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.699252 (E_RNA)
where:
Base-Base interactions energy: -84.122
where: short stacking energy: -62.965
Base-Backbone interact. energy: -1.167
local terms energy: -145.410590
where:
bonds (distance) C4'-P energy: -40.948
bonds (distance) P-C4' energy: -44.370
flat angles C4'-P-C4' energy: -29.909
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -205.316516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.316516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.316516 (E_RNA)
where:
Base-Base interactions energy: -74.955
where: short stacking energy: -62.017
Base-Backbone interact. energy: 1.018
local terms energy: -131.379903
where:
bonds (distance) C4'-P energy: -38.728
bonds (distance) P-C4' energy: -42.576
flat angles C4'-P-C4' energy: -32.971
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: 2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -204.438952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.438952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.438952 (E_RNA)
where:
Base-Base interactions energy: -70.972
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.996
local terms energy: -132.471542
where:
bonds (distance) C4'-P energy: -31.821
bonds (distance) P-C4' energy: -42.862
flat angles C4'-P-C4' energy: -36.687
flat angles P-C4'-P energy: -20.478
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -565.400386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.400386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.400386 (E_RNA)
where:
Base-Base interactions energy: -361.974
where: short stacking energy: -175.743
Base-Backbone interact. energy: -0.842
local terms energy: -202.584399
where:
bonds (distance) C4'-P energy: -39.606
bonds (distance) P-C4' energy: -35.572
flat angles C4'-P-C4' energy: -45.337
flat angles P-C4'-P energy: -31.559
tors. eta vs tors. theta energy: -50.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -557.671847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.671847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.671847 (E_RNA)
where:
Base-Base interactions energy: -342.932
where: short stacking energy: -165.889
Base-Backbone interact. energy: -0.623
local terms energy: -214.116507
where:
bonds (distance) C4'-P energy: -40.690
bonds (distance) P-C4' energy: -42.624
flat angles C4'-P-C4' energy: -50.363
flat angles P-C4'-P energy: -28.655
tors. eta vs tors. theta energy: -51.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -485.394443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.394443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.394443 (E_RNA)
where:
Base-Base interactions energy: -296.137
where: short stacking energy: -151.509
Base-Backbone interact. energy: 2.162
local terms energy: -191.419437
where:
bonds (distance) C4'-P energy: -39.222
bonds (distance) P-C4' energy: -35.513
flat angles C4'-P-C4' energy: -47.370
flat angles P-C4'-P energy: -31.867
tors. eta vs tors. theta energy: -37.447
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: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -441.428001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.428001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.428001 (E_RNA)
where:
Base-Base interactions energy: -239.489
where: short stacking energy: -114.986
Base-Backbone interact. energy: 0.788
local terms energy: -202.726518
where:
bonds (distance) C4'-P energy: -51.807
bonds (distance) P-C4' energy: -46.123
flat angles C4'-P-C4' energy: -43.991
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -29.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -410.200030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.200030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.200030 (E_RNA)
where:
Base-Base interactions energy: -256.242
where: short stacking energy: -109.531
Base-Backbone interact. energy: 0.878
local terms energy: -154.835922
where:
bonds (distance) C4'-P energy: -49.697
bonds (distance) P-C4' energy: -35.835
flat angles C4'-P-C4' energy: -30.227
flat angles P-C4'-P energy: -20.198
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -349.102498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.102498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.102498 (E_RNA)
where:
Base-Base interactions energy: -206.019
where: short stacking energy: -96.636
Base-Backbone interact. energy: -1.019
local terms energy: -142.064304
where:
bonds (distance) C4'-P energy: -38.232
bonds (distance) P-C4' energy: -33.218
flat angles C4'-P-C4' energy: -36.496
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -13.408
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: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -328.214698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.214698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.214698 (E_RNA)
where:
Base-Base interactions energy: -165.019
where: short stacking energy: -95.039
Base-Backbone interact. energy: -0.575
local terms energy: -162.620915
where:
bonds (distance) C4'-P energy: -37.919
bonds (distance) P-C4' energy: -44.156
flat angles C4'-P-C4' energy: -37.146
flat angles P-C4'-P energy: -24.817
tors. eta vs tors. theta energy: -18.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -209.158434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.158434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.158434 (E_RNA)
where:
Base-Base interactions energy: -74.966
where: short stacking energy: -61.754
Base-Backbone interact. energy: -0.287
local terms energy: -133.905560
where:
bonds (distance) C4'-P energy: -42.081
bonds (distance) P-C4' energy: -34.110
flat angles C4'-P-C4' energy: -33.867
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -203.270478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.270478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.270478 (E_RNA)
where:
Base-Base interactions energy: -78.221
where: short stacking energy: -65.343
Base-Backbone interact. energy: -0.441
local terms energy: -124.609299
where:
bonds (distance) C4'-P energy: -23.932
bonds (distance) P-C4' energy: -45.515
flat angles C4'-P-C4' energy: -31.365
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -8.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -177.925569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.925569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.925569 (E_RNA)
where:
Base-Base interactions energy: -64.571
where: short stacking energy: -55.829
Base-Backbone interact. energy: 0.496
local terms energy: -113.850235
where:
bonds (distance) C4'-P energy: -38.209
bonds (distance) P-C4' energy: -32.172
flat angles C4'-P-C4' energy: -25.526
flat angles P-C4'-P energy: -24.569
tors. eta vs tors. theta energy: 6.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -569.580461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.580461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.580461 (E_RNA)
where:
Base-Base interactions energy: -349.677
where: short stacking energy: -170.445
Base-Backbone interact. energy: -0.690
local terms energy: -219.212977
where:
bonds (distance) C4'-P energy: -43.703
bonds (distance) P-C4' energy: -45.814
flat angles C4'-P-C4' energy: -48.538
flat angles P-C4'-P energy: -35.338
tors. eta vs tors. theta energy: -45.820
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: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -510.287233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.287233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.287233 (E_RNA)
where:
Base-Base interactions energy: -319.892
where: short stacking energy: -168.712
Base-Backbone interact. energy: 1.105
local terms energy: -191.499524
where:
bonds (distance) C4'-P energy: -36.741
bonds (distance) P-C4' energy: -36.129
flat angles C4'-P-C4' energy: -42.474
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -42.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -502.520537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.520537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.520537 (E_RNA)
where:
Base-Base interactions energy: -304.532
where: short stacking energy: -150.160
Base-Backbone interact. energy: -1.955
local terms energy: -196.033072
where:
bonds (distance) C4'-P energy: -43.682
bonds (distance) P-C4' energy: -42.708
flat angles C4'-P-C4' energy: -45.046
flat angles P-C4'-P energy: -23.623
tors. eta vs tors. theta energy: -40.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -406.139056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.139056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.139056 (E_RNA)
where:
Base-Base interactions energy: -236.919
where: short stacking energy: -126.710
Base-Backbone interact. energy: -0.793
local terms energy: -168.427035
where:
bonds (distance) C4'-P energy: -44.990
bonds (distance) P-C4' energy: -37.078
flat angles C4'-P-C4' energy: -35.737
flat angles P-C4'-P energy: -22.551
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -454.749979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.749979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.749979 (E_RNA)
where:
Base-Base interactions energy: -281.811
where: short stacking energy: -131.585
Base-Backbone interact. energy: -2.182
local terms energy: -170.757016
where:
bonds (distance) C4'-P energy: -41.643
bonds (distance) P-C4' energy: -30.647
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -29.087
tors. eta vs tors. theta energy: -38.608
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: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -344.962991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.962991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.962991 (E_RNA)
where:
Base-Base interactions energy: -192.399
where: short stacking energy: -114.690
Base-Backbone interact. energy: 0.335
local terms energy: -152.899614
where:
bonds (distance) C4'-P energy: -33.013
bonds (distance) P-C4' energy: -42.177
flat angles C4'-P-C4' energy: -35.846
flat angles P-C4'-P energy: -22.035
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -331.472605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.472605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.472605 (E_RNA)
where:
Base-Base interactions energy: -175.015
where: short stacking energy: -84.930
Base-Backbone interact. energy: -0.745
local terms energy: -155.712261
where:
bonds (distance) C4'-P energy: -41.924
bonds (distance) P-C4' energy: -40.130
flat angles C4'-P-C4' energy: -34.925
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -222.860343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.860343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.860343 (E_RNA)
where:
Base-Base interactions energy: -101.847
where: short stacking energy: -85.339
Base-Backbone interact. energy: -0.888
local terms energy: -120.125981
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -38.223
flat angles C4'-P-C4' energy: -35.390
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -6.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -194.006791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.006791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.006791 (E_RNA)
where:
Base-Base interactions energy: -72.978
where: short stacking energy: -55.148
Base-Backbone interact. energy: 2.977
local terms energy: -124.005774
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -39.650
flat angles C4'-P-C4' energy: -31.338
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: 4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -184.626397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.626397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.626397 (E_RNA)
where:
Base-Base interactions energy: -70.121
where: short stacking energy: -60.375
Base-Backbone interact. energy: 0.373
local terms energy: -114.877810
where:
bonds (distance) C4'-P energy: -31.780
bonds (distance) P-C4' energy: -35.912
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -21.481
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: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -555.756722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.756722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.756722 (E_RNA)
where:
Base-Base interactions energy: -346.305
where: short stacking energy: -170.682
Base-Backbone interact. energy: 0.589
local terms energy: -210.041338
where:
bonds (distance) C4'-P energy: -42.370
bonds (distance) P-C4' energy: -49.760
flat angles C4'-P-C4' energy: -40.802
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -46.262
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: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -511.469839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.469839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.469839 (E_RNA)
where:
Base-Base interactions energy: -310.032
where: short stacking energy: -171.643
Base-Backbone interact. energy: -0.641
local terms energy: -200.797075
where:
bonds (distance) C4'-P energy: -38.882
bonds (distance) P-C4' energy: -41.912
flat angles C4'-P-C4' energy: -41.490
flat angles P-C4'-P energy: -32.070
tors. eta vs tors. theta energy: -46.444
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: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -490.700806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.700806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.700806 (E_RNA)
where:
Base-Base interactions energy: -296.009
where: short stacking energy: -148.577
Base-Backbone interact. energy: -0.215
local terms energy: -194.476859
where:
bonds (distance) C4'-P energy: -39.863
bonds (distance) P-C4' energy: -37.345
flat angles C4'-P-C4' energy: -47.480
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: -50.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -434.223768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.223768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.223768 (E_RNA)
where:
Base-Base interactions energy: -254.021
where: short stacking energy: -140.756
Base-Backbone interact. energy: -0.429
local terms energy: -179.774488
where:
bonds (distance) C4'-P energy: -34.770
bonds (distance) P-C4' energy: -44.093
flat angles C4'-P-C4' energy: -36.807
flat angles P-C4'-P energy: -26.204
tors. eta vs tors. theta energy: -37.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -439.707095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.707095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.707095 (E_RNA)
where:
Base-Base interactions energy: -270.932
where: short stacking energy: -142.315
Base-Backbone interact. energy: -0.790
local terms energy: -167.985083
where:
bonds (distance) C4'-P energy: -27.152
bonds (distance) P-C4' energy: -41.606
flat angles C4'-P-C4' energy: -37.431
flat angles P-C4'-P energy: -26.830
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: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -338.052415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.052415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.052415 (E_RNA)
where:
Base-Base interactions energy: -188.575
where: short stacking energy: -108.326
Base-Backbone interact. energy: -1.005
local terms energy: -148.472531
where:
bonds (distance) C4'-P energy: -32.963
bonds (distance) P-C4' energy: -30.028
flat angles C4'-P-C4' energy: -38.649
flat angles P-C4'-P energy: -27.269
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -248.438286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.438286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.438286 (E_RNA)
where:
Base-Base interactions energy: -110.649
where: short stacking energy: -77.564
Base-Backbone interact. energy: -1.135
local terms energy: -136.654859
where:
bonds (distance) C4'-P energy: -43.541
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -33.681
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -9.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -313.829262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.829262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.829262 (E_RNA)
where:
Base-Base interactions energy: -161.174
where: short stacking energy: -92.724
Base-Backbone interact. energy: 0.128
local terms energy: -152.782829
where:
bonds (distance) C4'-P energy: -39.592
bonds (distance) P-C4' energy: -45.914
flat angles C4'-P-C4' energy: -35.569
flat angles P-C4'-P energy: -15.307
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -191.793995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.793995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.793995 (E_RNA)
where:
Base-Base interactions energy: -74.659
where: short stacking energy: -64.013
Base-Backbone interact. energy: 0.347
local terms energy: -117.481841
where:
bonds (distance) C4'-P energy: -32.611
bonds (distance) P-C4' energy: -40.571
flat angles C4'-P-C4' energy: -29.029
flat angles P-C4'-P energy: -22.395
tors. eta vs tors. theta energy: 7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -175.155387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.155387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.155387 (E_RNA)
where:
Base-Base interactions energy: -63.461
where: short stacking energy: -53.739
Base-Backbone interact. energy: 0.538
local terms energy: -112.232486
where:
bonds (distance) C4'-P energy: -41.402
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -31.401
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: 13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -584.788733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.788733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.788733 (E_RNA)
where:
Base-Base interactions energy: -379.640
where: short stacking energy: -176.612
Base-Backbone interact. energy: -0.995
local terms energy: -204.154331
where:
bonds (distance) C4'-P energy: -36.818
bonds (distance) P-C4' energy: -44.536
flat angles C4'-P-C4' energy: -43.582
flat angles P-C4'-P energy: -28.863
tors. eta vs tors. theta energy: -50.356
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: 25
Temperature: 0.950000
Total energy: -539.653515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.653515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.653515 (E_RNA)
where:
Base-Base interactions energy: -344.419
where: short stacking energy: -165.889
Base-Backbone interact. energy: 0.862
local terms energy: -196.097240
where:
bonds (distance) C4'-P energy: -40.395
bonds (distance) P-C4' energy: -48.395
flat angles C4'-P-C4' energy: -42.878
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -37.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -500.865489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.865489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.865489 (E_RNA)
where:
Base-Base interactions energy: -299.319
where: short stacking energy: -176.120
Base-Backbone interact. energy: 0.424
local terms energy: -201.969861
where:
bonds (distance) C4'-P energy: -36.628
bonds (distance) P-C4' energy: -37.581
flat angles C4'-P-C4' energy: -45.057
flat angles P-C4'-P energy: -31.236
tors. eta vs tors. theta energy: -51.467
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: 4, replica: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -437.267214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.267214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.267214 (E_RNA)
where:
Base-Base interactions energy: -258.230
where: short stacking energy: -136.094
Base-Backbone interact. energy: -1.119
local terms energy: -177.918608
where:
bonds (distance) C4'-P energy: -46.414
bonds (distance) P-C4' energy: -42.935
flat angles C4'-P-C4' energy: -40.479
flat angles P-C4'-P energy: -19.692
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: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -398.147098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.147098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.147098 (E_RNA)
where:
Base-Base interactions energy: -229.036
where: short stacking energy: -114.549
Base-Backbone interact. energy: -0.775
local terms energy: -168.336204
where:
bonds (distance) C4'-P energy: -39.983
bonds (distance) P-C4' energy: -43.322
flat angles C4'-P-C4' energy: -38.316
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -24.258
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: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -356.324897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.324897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.324897 (E_RNA)
where:
Base-Base interactions energy: -199.555
where: short stacking energy: -104.010
Base-Backbone interact. energy: -0.548
local terms energy: -156.221719
where:
bonds (distance) C4'-P energy: -43.141
bonds (distance) P-C4' energy: -33.654
flat angles C4'-P-C4' energy: -34.169
flat angles P-C4'-P energy: -22.986
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -214.220286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.220286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.220286 (E_RNA)
where:
Base-Base interactions energy: -80.524
where: short stacking energy: -79.136
Base-Backbone interact. energy: 2.224
local terms energy: -135.920546
where:
bonds (distance) C4'-P energy: -28.951
bonds (distance) P-C4' energy: -31.336
flat angles C4'-P-C4' energy: -37.586
flat angles P-C4'-P energy: -25.345
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -253.837006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.837006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.837006 (E_RNA)
where:
Base-Base interactions energy: -126.211
where: short stacking energy: -73.076
Base-Backbone interact. energy: -0.852
local terms energy: -126.774735
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -37.861
flat angles C4'-P-C4' energy: -36.217
flat angles P-C4'-P energy: -15.796
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -216.871126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.871126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.871126 (E_RNA)
where:
Base-Base interactions energy: -102.150
where: short stacking energy: -51.144
Base-Backbone interact. energy: 3.733
local terms energy: -118.453657
where:
bonds (distance) C4'-P energy: -36.600
bonds (distance) P-C4' energy: -39.080
flat angles C4'-P-C4' energy: -29.271
flat angles P-C4'-P energy: -23.393
tors. eta vs tors. theta energy: 9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -181.034794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.034794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.034794 (E_RNA)
where:
Base-Base interactions energy: -66.680
where: short stacking energy: -58.111
Base-Backbone interact. energy: 0.246
local terms energy: -114.600805
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -34.479
flat angles C4'-P-C4' energy: -36.872
flat angles P-C4'-P energy: -5.020
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -597.787620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.787620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.787620 (E_RNA)
where:
Base-Base interactions energy: -376.516
where: short stacking energy: -187.709
Base-Backbone interact. energy: -0.409
local terms energy: -220.863491
where:
bonds (distance) C4'-P energy: -45.678
bonds (distance) P-C4' energy: -43.890
flat angles C4'-P-C4' energy: -46.398
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -49.980
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: 26
Temperature: 0.950000
Total energy: -517.387352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.387352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.387352 (E_RNA)
where:
Base-Base interactions energy: -331.719
where: short stacking energy: -149.988
Base-Backbone interact. energy: -1.532
local terms energy: -184.136534
where:
bonds (distance) C4'-P energy: -37.207
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -44.287
flat angles P-C4'-P energy: -25.530
tors. eta vs tors. theta energy: -37.199
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: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -499.672026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.672026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.672026 (E_RNA)
where:
Base-Base interactions energy: -306.520
where: short stacking energy: -163.542
Base-Backbone interact. energy: 0.896
local terms energy: -194.048206
where:
bonds (distance) C4'-P energy: -40.127
bonds (distance) P-C4' energy: -36.943
flat angles C4'-P-C4' energy: -37.369
flat angles P-C4'-P energy: -30.201
tors. eta vs tors. theta energy: -49.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -452.978535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.978535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.978535 (E_RNA)
where:
Base-Base interactions energy: -278.318
where: short stacking energy: -128.544
Base-Backbone interact. energy: -0.391
local terms energy: -174.269965
where:
bonds (distance) C4'-P energy: -42.101
bonds (distance) P-C4' energy: -40.753
flat angles C4'-P-C4' energy: -40.957
flat angles P-C4'-P energy: -26.996
tors. eta vs tors. theta energy: -23.462
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: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -414.662191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.662191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.662191 (E_RNA)
where:
Base-Base interactions energy: -241.635
where: short stacking energy: -143.746
Base-Backbone interact. energy: -0.638
local terms energy: -172.388243
where:
bonds (distance) C4'-P energy: -35.036
bonds (distance) P-C4' energy: -37.068
flat angles C4'-P-C4' energy: -39.135
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -34.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -353.408559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.408559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.408559 (E_RNA)
where:
Base-Base interactions energy: -186.044
where: short stacking energy: -108.146
Base-Backbone interact. energy: -1.756
local terms energy: -165.608024
where:
bonds (distance) C4'-P energy: -33.949
bonds (distance) P-C4' energy: -38.728
flat angles C4'-P-C4' energy: -40.024
flat angles P-C4'-P energy: -31.974
tors. eta vs tors. theta energy: -20.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -236.491721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.491721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.491721 (E_RNA)
where:
Base-Base interactions energy: -108.436
where: short stacking energy: -76.854
Base-Backbone interact. energy: 1.917
local terms energy: -129.973273
where:
bonds (distance) C4'-P energy: -37.021
bonds (distance) P-C4' energy: -36.966
flat angles C4'-P-C4' energy: -34.997
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -6.703
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: 26
Temperature: 1.250000
Total energy: -228.810120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.810120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.810120 (E_RNA)
where:
Base-Base interactions energy: -85.729
where: short stacking energy: -81.016
Base-Backbone interact. energy: -0.402
local terms energy: -142.679180
where:
bonds (distance) C4'-P energy: -37.099
bonds (distance) P-C4' energy: -40.258
flat angles C4'-P-C4' energy: -36.997
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -14.515
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: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -198.161501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.161501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.161501 (E_RNA)
where:
Base-Base interactions energy: -67.802
where: short stacking energy: -56.945
Base-Backbone interact. energy: -0.242
local terms energy: -130.118219
where:
bonds (distance) C4'-P energy: -37.304
bonds (distance) P-C4' energy: -43.041
flat angles C4'-P-C4' energy: -33.827
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -174.246608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.246608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.246608 (E_RNA)
where:
Base-Base interactions energy: -57.405
where: short stacking energy: -50.324
Base-Backbone interact. energy: -0.468
local terms energy: -116.373312
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -41.723
flat angles C4'-P-C4' energy: -32.941
flat angles P-C4'-P energy: -19.281
tors. eta vs tors. theta energy: -5.421
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: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -576.100602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.100602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.100602 (E_RNA)
where:
Base-Base interactions energy: -370.143
where: short stacking energy: -162.726
Base-Backbone interact. energy: -1.312
local terms energy: -204.645785
where:
bonds (distance) C4'-P energy: -42.081
bonds (distance) P-C4' energy: -45.917
flat angles C4'-P-C4' energy: -42.431
flat angles P-C4'-P energy: -31.577
tors. eta vs tors. theta energy: -42.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -543.443674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.443674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.443674 (E_RNA)
where:
Base-Base interactions energy: -322.936
where: short stacking energy: -177.463
Base-Backbone interact. energy: -0.400
local terms energy: -220.107887
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -47.092
flat angles C4'-P-C4' energy: -48.036
flat angles P-C4'-P energy: -29.046
tors. eta vs tors. theta energy: -56.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -488.031796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.031796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.031796 (E_RNA)
where:
Base-Base interactions energy: -299.116
where: short stacking energy: -139.121
Base-Backbone interact. energy: -1.833
local terms energy: -187.082786
where:
bonds (distance) C4'-P energy: -44.764
bonds (distance) P-C4' energy: -41.494
flat angles C4'-P-C4' energy: -41.120
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: -30.461
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: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -488.448278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.448278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.448278 (E_RNA)
where:
Base-Base interactions energy: -303.485
where: short stacking energy: -151.619
Base-Backbone interact. energy: -1.488
local terms energy: -183.475365
where:
bonds (distance) C4'-P energy: -30.431
bonds (distance) P-C4' energy: -48.611
flat angles C4'-P-C4' energy: -36.773
flat angles P-C4'-P energy: -29.500
tors. eta vs tors. theta energy: -38.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -393.268178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.268178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.268178 (E_RNA)
where:
Base-Base interactions energy: -208.890
where: short stacking energy: -105.066
Base-Backbone interact. energy: -0.609
local terms energy: -183.768859
where:
bonds (distance) C4'-P energy: -44.022
bonds (distance) P-C4' energy: -43.354
flat angles C4'-P-C4' energy: -43.870
flat angles P-C4'-P energy: -25.352
tors. eta vs tors. theta energy: -27.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -387.497464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.497464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.497464 (E_RNA)
where:
Base-Base interactions energy: -226.637
where: short stacking energy: -106.073
Base-Backbone interact. energy: 0.039
local terms energy: -160.899800
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -44.296
flat angles C4'-P-C4' energy: -31.652
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -21.408
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: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -249.627840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.627840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.627840 (E_RNA)
where:
Base-Base interactions energy: -112.025
where: short stacking energy: -66.879
Base-Backbone interact. energy: -0.025
local terms energy: -137.577121
where:
bonds (distance) C4'-P energy: -43.851
bonds (distance) P-C4' energy: -46.774
flat angles C4'-P-C4' energy: -30.434
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -237.517088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.517088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.517088 (E_RNA)
where:
Base-Base interactions energy: -99.768
where: short stacking energy: -75.804
Base-Backbone interact. energy: -1.720
local terms energy: -136.029544
where:
bonds (distance) C4'-P energy: -40.433
bonds (distance) P-C4' energy: -39.571
flat angles C4'-P-C4' energy: -34.515
flat angles P-C4'-P energy: -18.493
tors. eta vs tors. theta energy: -3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -215.545775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.545775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.545775 (E_RNA)
where:
Base-Base interactions energy: -87.670
where: short stacking energy: -52.935
Base-Backbone interact. energy: -1.116
local terms energy: -126.759925
where:
bonds (distance) C4'-P energy: -36.984
bonds (distance) P-C4' energy: -37.392
flat angles C4'-P-C4' energy: -36.960
flat angles P-C4'-P energy: -20.930
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: 2
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -191.161831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.161831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.161831 (E_RNA)
where:
Base-Base interactions energy: -63.494
where: short stacking energy: -58.433
Base-Backbone interact. energy: -0.165
local terms energy: -127.502526
where:
bonds (distance) C4'-P energy: -35.325
bonds (distance) P-C4' energy: -39.535
flat angles C4'-P-C4' energy: -31.798
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -7.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -585.379188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.379188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.379188 (E_RNA)
where:
Base-Base interactions energy: -376.736
where: short stacking energy: -184.646
Base-Backbone interact. energy: -0.151
local terms energy: -208.492553
where:
bonds (distance) C4'-P energy: -43.462
bonds (distance) P-C4' energy: -46.399
flat angles C4'-P-C4' energy: -38.361
flat angles P-C4'-P energy: -34.112
tors. eta vs tors. theta energy: -46.159
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: 28
Temperature: 0.950000
Total energy: -550.546468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.546468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.546468 (E_RNA)
where:
Base-Base interactions energy: -337.227
where: short stacking energy: -181.590
Base-Backbone interact. energy: -0.275
local terms energy: -213.044407
where:
bonds (distance) C4'-P energy: -44.167
bonds (distance) P-C4' energy: -41.515
flat angles C4'-P-C4' energy: -48.580
flat angles P-C4'-P energy: -28.264
tors. eta vs tors. theta energy: -50.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -510.749132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.749132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.749132 (E_RNA)
where:
Base-Base interactions energy: -313.149
where: short stacking energy: -162.924
Base-Backbone interact. energy: -1.141
local terms energy: -196.458611
where:
bonds (distance) C4'-P energy: -40.394
bonds (distance) P-C4' energy: -40.252
flat angles C4'-P-C4' energy: -44.155
flat angles P-C4'-P energy: -29.172
tors. eta vs tors. theta energy: -42.485
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: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -509.161105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.161105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.161105 (E_RNA)
where:
Base-Base interactions energy: -314.475
where: short stacking energy: -154.687
Base-Backbone interact. energy: -1.382
local terms energy: -193.303881
where:
bonds (distance) C4'-P energy: -41.432
bonds (distance) P-C4' energy: -37.955
flat angles C4'-P-C4' energy: -40.670
flat angles P-C4'-P energy: -29.064
tors. eta vs tors. theta energy: -44.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -419.587561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.587561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.587561 (E_RNA)
where:
Base-Base interactions energy: -240.434
where: short stacking energy: -118.686
Base-Backbone interact. energy: -0.541
local terms energy: -178.612232
where:
bonds (distance) C4'-P energy: -31.941
bonds (distance) P-C4' energy: -39.623
flat angles C4'-P-C4' energy: -51.014
flat angles P-C4'-P energy: -28.360
tors. eta vs tors. theta energy: -27.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -349.536469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.536469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.536469 (E_RNA)
where:
Base-Base interactions energy: -185.769
where: short stacking energy: -88.421
Base-Backbone interact. energy: -1.163
local terms energy: -162.604456
where:
bonds (distance) C4'-P energy: -34.534
bonds (distance) P-C4' energy: -43.154
flat angles C4'-P-C4' energy: -42.087
flat angles P-C4'-P energy: -26.482
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -246.905383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.905383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.905383 (E_RNA)
where:
Base-Base interactions energy: -106.376
where: short stacking energy: -88.767
Base-Backbone interact. energy: 5.750
local terms energy: -146.279634
where:
bonds (distance) C4'-P energy: -39.753
bonds (distance) P-C4' energy: -38.645
flat angles C4'-P-C4' energy: -32.150
flat angles P-C4'-P energy: -23.686
tors. eta vs tors. theta energy: -12.045
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: 10
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -213.225915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.225915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.225915 (E_RNA)
where:
Base-Base interactions energy: -74.777
where: short stacking energy: -56.740
Base-Backbone interact. energy: 4.089
local terms energy: -142.537655
where:
bonds (distance) C4'-P energy: -39.981
bonds (distance) P-C4' energy: -36.624
flat angles C4'-P-C4' energy: -34.674
flat angles P-C4'-P energy: -27.011
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: 9, replica: 2
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -199.807238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.807238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.807238 (E_RNA)
where:
Base-Base interactions energy: -66.879
where: short stacking energy: -50.935
Base-Backbone interact. energy: -0.002
local terms energy: -132.926308
where:
bonds (distance) C4'-P energy: -39.050
bonds (distance) P-C4' energy: -38.561
flat angles C4'-P-C4' energy: -30.401
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -3.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -199.040850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.040850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.040850 (E_RNA)
where:
Base-Base interactions energy: -67.694
where: short stacking energy: -56.373
Base-Backbone interact. energy: 0.234
local terms energy: -131.580824
where:
bonds (distance) C4'-P energy: -39.671
bonds (distance) P-C4' energy: -42.291
flat angles C4'-P-C4' energy: -35.296
flat angles P-C4'-P energy: -20.270
tors. eta vs tors. theta energy: 5.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -579.175848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.175848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.175848 (E_RNA)
where:
Base-Base interactions energy: -361.975
where: short stacking energy: -170.281
Base-Backbone interact. energy: 0.369
local terms energy: -217.569933
where:
bonds (distance) C4'-P energy: -43.776
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -49.953
flat angles P-C4'-P energy: -35.691
tors. eta vs tors. theta energy: -47.799
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: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -562.853673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.853673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.853673 (E_RNA)
where:
Base-Base interactions energy: -344.860
where: short stacking energy: -172.555
Base-Backbone interact. energy: -1.232
local terms energy: -216.761191
where:
bonds (distance) C4'-P energy: -45.455
bonds (distance) P-C4' energy: -43.637
flat angles C4'-P-C4' energy: -45.930
flat angles P-C4'-P energy: -30.564
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: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -542.508861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.508861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.508861 (E_RNA)
where:
Base-Base interactions energy: -341.354
where: short stacking energy: -161.920
Base-Backbone interact. energy: 0.050
local terms energy: -201.205002
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -38.275
flat angles C4'-P-C4' energy: -49.321
flat angles P-C4'-P energy: -27.098
tors. eta vs tors. theta energy: -39.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -471.568245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.568245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.568245 (E_RNA)
where:
Base-Base interactions energy: -297.199
where: short stacking energy: -135.189
Base-Backbone interact. energy: -1.002
local terms energy: -173.366648
where:
bonds (distance) C4'-P energy: -38.363
bonds (distance) P-C4' energy: -40.460
flat angles C4'-P-C4' energy: -38.937
flat angles P-C4'-P energy: -26.628
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: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -412.706597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.706597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.706597 (E_RNA)
where:
Base-Base interactions energy: -255.804
where: short stacking energy: -113.214
Base-Backbone interact. energy: -0.888
local terms energy: -156.015128
where:
bonds (distance) C4'-P energy: -27.333
bonds (distance) P-C4' energy: -41.845
flat angles C4'-P-C4' energy: -43.438
flat angles P-C4'-P energy: -21.200
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -350.048673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.048673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.048673 (E_RNA)
where:
Base-Base interactions energy: -190.514
where: short stacking energy: -114.340
Base-Backbone interact. energy: 3.718
local terms energy: -163.253480
where:
bonds (distance) C4'-P energy: -39.911
bonds (distance) P-C4' energy: -43.258
flat angles C4'-P-C4' energy: -31.579
flat angles P-C4'-P energy: -22.055
tors. eta vs tors. theta energy: -26.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -222.700634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.700634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.700634 (E_RNA)
where:
Base-Base interactions energy: -87.261
where: short stacking energy: -69.413
Base-Backbone interact. energy: -0.539
local terms energy: -134.900183
where:
bonds (distance) C4'-P energy: -32.308
bonds (distance) P-C4' energy: -38.047
flat angles C4'-P-C4' energy: -38.897
flat angles P-C4'-P energy: -21.989
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -215.550378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.550378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.550378 (E_RNA)
where:
Base-Base interactions energy: -94.803
where: short stacking energy: -75.913
Base-Backbone interact. energy: -1.409
local terms energy: -119.338233
where:
bonds (distance) C4'-P energy: -30.125
bonds (distance) P-C4' energy: -40.186
flat angles C4'-P-C4' energy: -29.611
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -198.592327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.592327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.592327 (E_RNA)
where:
Base-Base interactions energy: -58.224
where: short stacking energy: -46.003
Base-Backbone interact. energy: 0.403
local terms energy: -140.770926
where:
bonds (distance) C4'-P energy: -36.283
bonds (distance) P-C4' energy: -36.876
flat angles C4'-P-C4' energy: -40.366
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -190.141757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.141757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.141757 (E_RNA)
where:
Base-Base interactions energy: -55.084
where: short stacking energy: -50.905
Base-Backbone interact. energy: -0.359
local terms energy: -134.698928
where:
bonds (distance) C4'-P energy: -38.475
bonds (distance) P-C4' energy: -39.405
flat angles C4'-P-C4' energy: -36.397
flat angles P-C4'-P energy: -22.665
tors. eta vs tors. theta energy: 2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -571.256817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.256817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.256817 (E_RNA)
where:
Base-Base interactions energy: -360.840
where: short stacking energy: -182.875
Base-Backbone interact. energy: -0.839
local terms energy: -209.578225
where:
bonds (distance) C4'-P energy: -45.507
bonds (distance) P-C4' energy: -37.919
flat angles C4'-P-C4' energy: -45.763
flat angles P-C4'-P energy: -32.912
tors. eta vs tors. theta energy: -47.478
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: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -570.652998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.652998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.652998 (E_RNA)
where:
Base-Base interactions energy: -360.531
where: short stacking energy: -184.443
Base-Backbone interact. energy: -1.200
local terms energy: -208.921581
where:
bonds (distance) C4'-P energy: -43.054
bonds (distance) P-C4' energy: -39.950
flat angles C4'-P-C4' energy: -43.901
flat angles P-C4'-P energy: -29.170
tors. eta vs tors. theta energy: -52.847
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: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -537.990729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.990729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.990729 (E_RNA)
where:
Base-Base interactions energy: -339.793
where: short stacking energy: -165.326
Base-Backbone interact. energy: -0.203
local terms energy: -197.994585
where:
bonds (distance) C4'-P energy: -44.175
bonds (distance) P-C4' energy: -34.264
flat angles C4'-P-C4' energy: -49.169
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -40.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -502.903675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.903675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.903675 (E_RNA)
where:
Base-Base interactions energy: -307.656
where: short stacking energy: -129.423
Base-Backbone interact. energy: -4.157
local terms energy: -191.090863
where:
bonds (distance) C4'-P energy: -43.613
bonds (distance) P-C4' energy: -41.481
flat angles C4'-P-C4' energy: -40.436
flat angles P-C4'-P energy: -30.788
tors. eta vs tors. theta energy: -34.773
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: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -404.359135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.359135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.359135 (E_RNA)
where:
Base-Base interactions energy: -248.443
where: short stacking energy: -113.454
Base-Backbone interact. energy: 0.426
local terms energy: -156.341837
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -40.335
flat angles C4'-P-C4' energy: -39.851
flat angles P-C4'-P energy: -20.801
tors. eta vs tors. theta energy: -20.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -350.125442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.125442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.125442 (E_RNA)
where:
Base-Base interactions energy: -187.474
where: short stacking energy: -100.745
Base-Backbone interact. energy: -0.990
local terms energy: -161.662223
where:
bonds (distance) C4'-P energy: -44.730
bonds (distance) P-C4' energy: -39.630
flat angles C4'-P-C4' energy: -43.042
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -216.935963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.935963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.935963 (E_RNA)
where:
Base-Base interactions energy: -74.402
where: short stacking energy: -70.423
Base-Backbone interact. energy: -1.684
local terms energy: -140.849380
where:
bonds (distance) C4'-P energy: -36.102
bonds (distance) P-C4' energy: -42.216
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: -3.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -204.962148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.962148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.962148 (E_RNA)
where:
Base-Base interactions energy: -69.259
where: short stacking energy: -59.421
Base-Backbone interact. energy: -0.507
local terms energy: -135.196258
where:
bonds (distance) C4'-P energy: -39.605
bonds (distance) P-C4' energy: -45.292
flat angles C4'-P-C4' energy: -35.695
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -208.274225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.274225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.274225 (E_RNA)
where:
Base-Base interactions energy: -73.793
where: short stacking energy: -63.084
Base-Backbone interact. energy: 1.714
local terms energy: -136.195258
where:
bonds (distance) C4'-P energy: -30.902
bonds (distance) P-C4' energy: -40.008
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -29.165
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -217.048802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.048802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.048802 (E_RNA)
where:
Base-Base interactions energy: -88.210
where: short stacking energy: -86.691
Base-Backbone interact. energy: 0.873
local terms energy: -129.712416
where:
bonds (distance) C4'-P energy: -26.867
bonds (distance) P-C4' energy: -40.187
flat angles C4'-P-C4' energy: -28.646
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -565.485137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.485137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.485137 (E_RNA)
where:
Base-Base interactions energy: -343.635
where: short stacking energy: -185.738
Base-Backbone interact. energy: -0.960
local terms energy: -220.890429
where:
bonds (distance) C4'-P energy: -43.833
bonds (distance) P-C4' energy: -50.332
flat angles C4'-P-C4' energy: -44.440
flat angles P-C4'-P energy: -27.996
tors. eta vs tors. theta energy: -54.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -589.011115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.011115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.011115 (E_RNA)
where:
Base-Base interactions energy: -385.252
where: short stacking energy: -172.955
Base-Backbone interact. energy: -0.229
local terms energy: -203.529778
where:
bonds (distance) C4'-P energy: -39.468
bonds (distance) P-C4' energy: -38.118
flat angles C4'-P-C4' energy: -48.318
flat angles P-C4'-P energy: -31.049
tors. eta vs tors. theta energy: -46.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -534.009472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.009472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.009472 (E_RNA)
where:
Base-Base interactions energy: -337.683
where: short stacking energy: -173.869
Base-Backbone interact. energy: -0.722
local terms energy: -195.605090
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -26.157
flat angles C4'-P-C4' energy: -46.677
flat angles P-C4'-P energy: -36.733
tors. eta vs tors. theta energy: -51.288
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: 6
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -501.368431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.368431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.368431 (E_RNA)
where:
Base-Base interactions energy: -318.302
where: short stacking energy: -152.343
Base-Backbone interact. energy: -1.964
local terms energy: -181.102044
where:
bonds (distance) C4'-P energy: -36.944
bonds (distance) P-C4' energy: -39.345
flat angles C4'-P-C4' energy: -36.042
flat angles P-C4'-P energy: -31.924
tors. eta vs tors. theta energy: -36.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -414.739636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.739636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.739636 (E_RNA)
where:
Base-Base interactions energy: -249.226
where: short stacking energy: -130.817
Base-Backbone interact. energy: -0.682
local terms energy: -164.830867
where:
bonds (distance) C4'-P energy: -37.240
bonds (distance) P-C4' energy: -44.382
flat angles C4'-P-C4' energy: -35.497
flat angles P-C4'-P energy: -18.849
tors. eta vs tors. theta energy: -28.862
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: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -353.868314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.868314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.868314 (E_RNA)
where:
Base-Base interactions energy: -199.253
where: short stacking energy: -109.065
Base-Backbone interact. energy: -0.632
local terms energy: -153.983213
where:
bonds (distance) C4'-P energy: -32.404
bonds (distance) P-C4' energy: -35.335
flat angles C4'-P-C4' energy: -36.493
flat angles P-C4'-P energy: -26.561
tors. eta vs tors. theta energy: -23.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -254.006208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.006208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.006208 (E_RNA)
where:
Base-Base interactions energy: -93.106
where: short stacking energy: -69.718
Base-Backbone interact. energy: 0.558
local terms energy: -161.458267
where:
bonds (distance) C4'-P energy: -35.991
bonds (distance) P-C4' energy: -42.095
flat angles C4'-P-C4' energy: -40.958
flat angles P-C4'-P energy: -28.651
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -249.906497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.906497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.906497 (E_RNA)
where:
Base-Base interactions energy: -102.603
where: short stacking energy: -56.562
Base-Backbone interact. energy: -1.315
local terms energy: -145.988176
where:
bonds (distance) C4'-P energy: -37.314
bonds (distance) P-C4' energy: -42.706
flat angles C4'-P-C4' energy: -33.670
flat angles P-C4'-P energy: -26.213
tors. eta vs tors. theta energy: -6.086
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: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -221.479452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.479452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.479452 (E_RNA)
where:
Base-Base interactions energy: -73.738
where: short stacking energy: -69.289
Base-Backbone interact. energy: -0.429
local terms energy: -147.312259
where:
bonds (distance) C4'-P energy: -34.465
bonds (distance) P-C4' energy: -40.637
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -18.664
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -185.834612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.834612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.834612 (E_RNA)
where:
Base-Base interactions energy: -65.061
where: short stacking energy: -45.844
Base-Backbone interact. energy: 0.082
local terms energy: -120.855583
where:
bonds (distance) C4'-P energy: -28.255
bonds (distance) P-C4' energy: -40.240
flat angles C4'-P-C4' energy: -32.118
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -611.480556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.480556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.480556 (E_RNA)
where:
Base-Base interactions energy: -388.493
where: short stacking energy: -181.922
Base-Backbone interact. energy: -0.116
local terms energy: -222.871951
where:
bonds (distance) C4'-P energy: -41.958
bonds (distance) P-C4' energy: -44.786
flat angles C4'-P-C4' energy: -48.283
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -52.289
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: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -560.065513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.065513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.065513 (E_RNA)
where:
Base-Base interactions energy: -347.218
where: short stacking energy: -177.905
Base-Backbone interact. energy: -0.394
local terms energy: -212.452981
where:
bonds (distance) C4'-P energy: -36.341
bonds (distance) P-C4' energy: -50.100
flat angles C4'-P-C4' energy: -45.171
flat angles P-C4'-P energy: -20.576
tors. eta vs tors. theta energy: -60.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -515.730981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.730981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.730981 (E_RNA)
where:
Base-Base interactions energy: -317.834
where: short stacking energy: -153.395
Base-Backbone interact. energy: -0.139
local terms energy: -197.757874
where:
bonds (distance) C4'-P energy: -43.310
bonds (distance) P-C4' energy: -48.013
flat angles C4'-P-C4' energy: -44.396
flat angles P-C4'-P energy: -24.572
tors. eta vs tors. theta energy: -37.467
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: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -509.092341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.092341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.092341 (E_RNA)
where:
Base-Base interactions energy: -316.163
where: short stacking energy: -152.091
Base-Backbone interact. energy: -0.615
local terms energy: -192.314515
where:
bonds (distance) C4'-P energy: -34.739
bonds (distance) P-C4' energy: -42.445
flat angles C4'-P-C4' energy: -43.222
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: -40.043
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: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -410.571163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.571163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.571163 (E_RNA)
where:
Base-Base interactions energy: -252.384
where: short stacking energy: -107.541
Base-Backbone interact. energy: -3.170
local terms energy: -155.017506
where:
bonds (distance) C4'-P energy: -37.192
bonds (distance) P-C4' energy: -39.096
flat angles C4'-P-C4' energy: -37.852
flat angles P-C4'-P energy: -25.143
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -334.173198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.173198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.173198 (E_RNA)
where:
Base-Base interactions energy: -165.094
where: short stacking energy: -107.848
Base-Backbone interact. energy: 0.137
local terms energy: -169.216135
where:
bonds (distance) C4'-P energy: -41.860
bonds (distance) P-C4' energy: -42.277
flat angles C4'-P-C4' energy: -39.914
flat angles P-C4'-P energy: -21.620
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -244.207571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.207571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.207571 (E_RNA)
where:
Base-Base interactions energy: -114.575
where: short stacking energy: -82.106
Base-Backbone interact. energy: 0.445
local terms energy: -130.077730
where:
bonds (distance) C4'-P energy: -30.687
bonds (distance) P-C4' energy: -37.031
flat angles C4'-P-C4' energy: -33.769
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -208.537137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.537137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.537137 (E_RNA)
where:
Base-Base interactions energy: -83.847
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.890
local terms energy: -123.799997
where:
bonds (distance) C4'-P energy: -40.842
bonds (distance) P-C4' energy: -43.991
flat angles C4'-P-C4' energy: -24.858
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -3.193
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: 9, replica: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -195.074171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.074171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.074171 (E_RNA)
where:
Base-Base interactions energy: -68.368
where: short stacking energy: -67.409
Base-Backbone interact. energy: 2.110
local terms energy: -128.816485
where:
bonds (distance) C4'-P energy: -32.483
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -33.467
flat angles P-C4'-P energy: -19.444
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -186.831803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.831803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.831803 (E_RNA)
where:
Base-Base interactions energy: -62.967
where: short stacking energy: -48.954
Base-Backbone interact. energy: -0.649
local terms energy: -123.215940
where:
bonds (distance) C4'-P energy: -34.949
bonds (distance) P-C4' energy: -39.080
flat angles C4'-P-C4' energy: -33.557
flat angles P-C4'-P energy: -21.568
tors. eta vs tors. theta energy: 5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -617.562239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.562239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.562239 (E_RNA)
where:
Base-Base interactions energy: -393.431
where: short stacking energy: -188.046
Base-Backbone interact. energy: 0.170
local terms energy: -224.301573
where:
bonds (distance) C4'-P energy: -42.233
bonds (distance) P-C4' energy: -44.430
flat angles C4'-P-C4' energy: -50.294
flat angles P-C4'-P energy: -31.646
tors. eta vs tors. theta energy: -55.699
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: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -556.265331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.265331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.265331 (E_RNA)
where:
Base-Base interactions energy: -355.039
where: short stacking energy: -181.684
Base-Backbone interact. energy: 0.313
local terms energy: -201.539436
where:
bonds (distance) C4'-P energy: -35.688
bonds (distance) P-C4' energy: -46.629
flat angles C4'-P-C4' energy: -43.909
flat angles P-C4'-P energy: -26.098
tors. eta vs tors. theta energy: -49.216
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: 3, replica: 6
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -550.290470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.290470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.290470 (E_RNA)
where:
Base-Base interactions energy: -332.115
where: short stacking energy: -170.601
Base-Backbone interact. energy: -1.448
local terms energy: -216.727106
where:
bonds (distance) C4'-P energy: -42.910
bonds (distance) P-C4' energy: -48.150
flat angles C4'-P-C4' energy: -42.556
flat angles P-C4'-P energy: -31.174
tors. eta vs tors. theta energy: -51.936
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: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -517.243867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.243867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.243867 (E_RNA)
where:
Base-Base interactions energy: -331.882
where: short stacking energy: -158.481
Base-Backbone interact. energy: -2.868
local terms energy: -182.494287
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -34.993
flat angles C4'-P-C4' energy: -45.657
flat angles P-C4'-P energy: -28.706
tors. eta vs tors. theta energy: -40.088
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: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -452.584989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.584989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.584989 (E_RNA)
where:
Base-Base interactions energy: -283.491
where: short stacking energy: -138.355
Base-Backbone interact. energy: -0.909
local terms energy: -168.185236
where:
bonds (distance) C4'-P energy: -34.454
bonds (distance) P-C4' energy: -45.222
flat angles C4'-P-C4' energy: -40.040
flat angles P-C4'-P energy: -23.158
tors. eta vs tors. theta energy: -25.310
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: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -350.982681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.982681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.982681 (E_RNA)
where:
Base-Base interactions energy: -199.114
where: short stacking energy: -111.878
Base-Backbone interact. energy: 0.426
local terms energy: -152.294782
where:
bonds (distance) C4'-P energy: -30.640
bonds (distance) P-C4' energy: -39.200
flat angles C4'-P-C4' energy: -39.751
flat angles P-C4'-P energy: -24.960
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -221.394037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.394037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.394037 (E_RNA)
where:
Base-Base interactions energy: -90.911
where: short stacking energy: -79.565
Base-Backbone interact. energy: 0.364
local terms energy: -130.846792
where:
bonds (distance) C4'-P energy: -41.753
bonds (distance) P-C4' energy: -31.161
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -17.124
tors. eta vs tors. theta energy: -8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -224.435115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.435115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.435115 (E_RNA)
where:
Base-Base interactions energy: -87.016
where: short stacking energy: -69.632
Base-Backbone interact. energy: 1.804
local terms energy: -139.222961
where:
bonds (distance) C4'-P energy: -37.161
bonds (distance) P-C4' energy: -35.951
flat angles C4'-P-C4' energy: -41.060
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: -1.986
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: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -202.201148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.201148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.201148 (E_RNA)
where:
Base-Base interactions energy: -75.655
where: short stacking energy: -58.062
Base-Backbone interact. energy: -0.883
local terms energy: -125.663320
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -39.328
flat angles C4'-P-C4' energy: -40.927
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: 5.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -181.208727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.208727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.208727 (E_RNA)
where:
Base-Base interactions energy: -54.767
where: short stacking energy: -43.206
Base-Backbone interact. energy: -1.617
local terms energy: -124.825050
where:
bonds (distance) C4'-P energy: -33.540
bonds (distance) P-C4' energy: -38.892
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -599.400926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.400926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.400926 (E_RNA)
where:
Base-Base interactions energy: -381.933
where: short stacking energy: -189.078
Base-Backbone interact. energy: -0.470
local terms energy: -216.997068
where:
bonds (distance) C4'-P energy: -39.655
bonds (distance) P-C4' energy: -44.312
flat angles C4'-P-C4' energy: -49.301
flat angles P-C4'-P energy: -29.659
tors. eta vs tors. theta energy: -54.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -555.610656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.610656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.610656 (E_RNA)
where:
Base-Base interactions energy: -336.166
where: short stacking energy: -179.611
Base-Backbone interact. energy: -1.187
local terms energy: -218.257240
where:
bonds (distance) C4'-P energy: -50.502
bonds (distance) P-C4' energy: -45.967
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -25.885
tors. eta vs tors. theta energy: -55.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -528.944945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.944945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.944945 (E_RNA)
where:
Base-Base interactions energy: -323.895
where: short stacking energy: -157.186
Base-Backbone interact. energy: -1.571
local terms energy: -203.478544
where:
bonds (distance) C4'-P energy: -39.614
bonds (distance) P-C4' energy: -46.972
flat angles C4'-P-C4' energy: -45.332
flat angles P-C4'-P energy: -27.001
tors. eta vs tors. theta energy: -44.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -515.022706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.022706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.022706 (E_RNA)
where:
Base-Base interactions energy: -326.909
where: short stacking energy: -153.470
Base-Backbone interact. energy: -0.200
local terms energy: -187.914251
where:
bonds (distance) C4'-P energy: -43.268
bonds (distance) P-C4' energy: -49.801
flat angles C4'-P-C4' energy: -35.821
flat angles P-C4'-P energy: -18.656
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: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -492.986474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.986474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.986474 (E_RNA)
where:
Base-Base interactions energy: -319.771
where: short stacking energy: -160.504
Base-Backbone interact. energy: 0.513
local terms energy: -173.728432
where:
bonds (distance) C4'-P energy: -41.249
bonds (distance) P-C4' energy: -31.916
flat angles C4'-P-C4' energy: -41.475
flat angles P-C4'-P energy: -17.303
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: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -357.018354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.018354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.018354 (E_RNA)
where:
Base-Base interactions energy: -185.257
where: short stacking energy: -121.373
Base-Backbone interact. energy: -0.443
local terms energy: -171.318056
where:
bonds (distance) C4'-P energy: -34.353
bonds (distance) P-C4' energy: -30.012
flat angles C4'-P-C4' energy: -40.470
flat angles P-C4'-P energy: -32.457
tors. eta vs tors. theta energy: -34.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -223.147351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.147351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.147351 (E_RNA)
where:
Base-Base interactions energy: -80.608
where: short stacking energy: -75.136
Base-Backbone interact. energy: 0.319
local terms energy: -142.858263
where:
bonds (distance) C4'-P energy: -39.491
bonds (distance) P-C4' energy: -39.300
flat angles C4'-P-C4' energy: -36.595
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -230.224245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.224245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.224245 (E_RNA)
where:
Base-Base interactions energy: -83.955
where: short stacking energy: -70.885
Base-Backbone interact. energy: -1.080
local terms energy: -145.189043
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -37.665
flat angles C4'-P-C4' energy: -30.984
flat angles P-C4'-P energy: -14.454
tors. eta vs tors. theta energy: -23.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -200.542023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.542023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.542023 (E_RNA)
where:
Base-Base interactions energy: -69.231
where: short stacking energy: -61.527
Base-Backbone interact. energy: -1.070
local terms energy: -130.240584
where:
bonds (distance) C4'-P energy: -44.581
bonds (distance) P-C4' energy: -35.060
flat angles C4'-P-C4' energy: -31.185
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -190.762165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.762165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.762165 (E_RNA)
where:
Base-Base interactions energy: -69.507
where: short stacking energy: -67.933
Base-Backbone interact. energy: 1.741
local terms energy: -122.995923
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -46.183
flat angles C4'-P-C4' energy: -31.564
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: 0.747
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: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -592.003578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.003578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.003578 (E_RNA)
where:
Base-Base interactions energy: -377.012
where: short stacking energy: -191.499
Base-Backbone interact. energy: 0.185
local terms energy: -215.176584
where:
bonds (distance) C4'-P energy: -35.912
bonds (distance) P-C4' energy: -45.863
flat angles C4'-P-C4' energy: -48.592
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -51.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -541.592849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.592849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.592849 (E_RNA)
where:
Base-Base interactions energy: -338.130
where: short stacking energy: -176.629
Base-Backbone interact. energy: -0.515
local terms energy: -202.947823
where:
bonds (distance) C4'-P energy: -40.926
bonds (distance) P-C4' energy: -39.673
flat angles C4'-P-C4' energy: -42.844
flat angles P-C4'-P energy: -26.056
tors. eta vs tors. theta energy: -53.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -541.798722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.798722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.798722 (E_RNA)
where:
Base-Base interactions energy: -342.661
where: short stacking energy: -158.399
Base-Backbone interact. energy: -0.650
local terms energy: -198.487700
where:
bonds (distance) C4'-P energy: -39.981
bonds (distance) P-C4' energy: -34.965
flat angles C4'-P-C4' energy: -52.878
flat angles P-C4'-P energy: -30.191
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: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -516.533099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.533099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.533099 (E_RNA)
where:
Base-Base interactions energy: -324.460
where: short stacking energy: -163.346
Base-Backbone interact. energy: -0.460
local terms energy: -191.613041
where:
bonds (distance) C4'-P energy: -40.591
bonds (distance) P-C4' energy: -41.914
flat angles C4'-P-C4' energy: -40.726
flat angles P-C4'-P energy: -27.361
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: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -473.457171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.457171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.457171 (E_RNA)
where:
Base-Base interactions energy: -292.870
where: short stacking energy: -154.208
Base-Backbone interact. energy: -0.282
local terms energy: -180.305661
where:
bonds (distance) C4'-P energy: -41.116
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -41.182
flat angles P-C4'-P energy: -27.209
tors. eta vs tors. theta energy: -30.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -357.103275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.103275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.103275 (E_RNA)
where:
Base-Base interactions energy: -192.649
where: short stacking energy: -120.618
Base-Backbone interact. energy: -0.269
local terms energy: -164.185188
where:
bonds (distance) C4'-P energy: -34.231
bonds (distance) P-C4' energy: -38.009
flat angles C4'-P-C4' energy: -37.003
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -27.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -224.287677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.287677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.287677 (E_RNA)
where:
Base-Base interactions energy: -95.177
where: short stacking energy: -62.576
Base-Backbone interact. energy: 0.128
local terms energy: -129.238832
where:
bonds (distance) C4'-P energy: -29.972
bonds (distance) P-C4' energy: -47.860
flat angles C4'-P-C4' energy: -36.448
flat angles P-C4'-P energy: -21.538
tors. eta vs tors. theta energy: 6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -223.796846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.796846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.796846 (E_RNA)
where:
Base-Base interactions energy: -81.934
where: short stacking energy: -66.555
Base-Backbone interact. energy: -1.577
local terms energy: -140.286008
where:
bonds (distance) C4'-P energy: -39.599
bonds (distance) P-C4' energy: -40.245
flat angles C4'-P-C4' energy: -35.156
flat angles P-C4'-P energy: -19.870
tors. eta vs tors. theta energy: -5.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -190.089956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.089956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.089956 (E_RNA)
where:
Base-Base interactions energy: -63.054
where: short stacking energy: -58.641
Base-Backbone interact. energy: -0.014
local terms energy: -127.021756
where:
bonds (distance) C4'-P energy: -35.265
bonds (distance) P-C4' energy: -35.834
flat angles C4'-P-C4' energy: -32.273
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: 0.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -182.117316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.117316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.117316 (E_RNA)
where:
Base-Base interactions energy: -76.747
where: short stacking energy: -60.629
Base-Backbone interact. energy: -1.166
local terms energy: -104.204492
where:
bonds (distance) C4'-P energy: -32.209
bonds (distance) P-C4' energy: -30.406
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -22.348
tors. eta vs tors. theta energy: 0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -605.044061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.044061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.044061 (E_RNA)
where:
Base-Base interactions energy: -386.401
where: short stacking energy: -190.644
Base-Backbone interact. energy: 0.391
local terms energy: -219.034001
where:
bonds (distance) C4'-P energy: -37.531
bonds (distance) P-C4' energy: -44.695
flat angles C4'-P-C4' energy: -50.070
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -53.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -551.306033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.306033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.306033 (E_RNA)
where:
Base-Base interactions energy: -348.248
where: short stacking energy: -167.396
Base-Backbone interact. energy: -0.927
local terms energy: -202.130844
where:
bonds (distance) C4'-P energy: -41.373
bonds (distance) P-C4' energy: -37.552
flat angles C4'-P-C4' energy: -42.121
flat angles P-C4'-P energy: -33.144
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: 3, replica: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -539.617942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.617942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.617942 (E_RNA)
where:
Base-Base interactions energy: -337.074
where: short stacking energy: -164.072
Base-Backbone interact. energy: -2.079
local terms energy: -200.465421
where:
bonds (distance) C4'-P energy: -47.417
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -44.467
flat angles P-C4'-P energy: -23.015
tors. eta vs tors. theta energy: -49.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -488.471642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.471642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.471642 (E_RNA)
where:
Base-Base interactions energy: -307.168
where: short stacking energy: -147.377
Base-Backbone interact. energy: 1.493
local terms energy: -182.796406
where:
bonds (distance) C4'-P energy: -39.767
bonds (distance) P-C4' energy: -31.734
flat angles C4'-P-C4' energy: -48.542
flat angles P-C4'-P energy: -27.852
tors. eta vs tors. theta energy: -34.901
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: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -478.131118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.131118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.131118 (E_RNA)
where:
Base-Base interactions energy: -284.885
where: short stacking energy: -136.093
Base-Backbone interact. energy: -1.007
local terms energy: -192.239534
where:
bonds (distance) C4'-P energy: -42.104
bonds (distance) P-C4' energy: -48.887
flat angles C4'-P-C4' energy: -42.096
flat angles P-C4'-P energy: -30.504
tors. eta vs tors. theta energy: -28.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -357.669659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.669659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.669659 (E_RNA)
where:
Base-Base interactions energy: -193.447
where: short stacking energy: -96.819
Base-Backbone interact. energy: 1.431
local terms energy: -165.653012
where:
bonds (distance) C4'-P energy: -46.034
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -39.986
flat angles P-C4'-P energy: -26.706
tors. eta vs tors. theta energy: -21.838
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: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -261.300526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.300526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.300526 (E_RNA)
where:
Base-Base interactions energy: -127.086
where: short stacking energy: -80.336
Base-Backbone interact. energy: -0.055
local terms energy: -134.159153
where:
bonds (distance) C4'-P energy: -37.151
bonds (distance) P-C4' energy: -42.801
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -21.140
tors. eta vs tors. theta energy: -5.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -205.243192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.243192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.243192 (E_RNA)
where:
Base-Base interactions energy: -69.470
where: short stacking energy: -62.293
Base-Backbone interact. energy: -0.848
local terms energy: -134.925157
where:
bonds (distance) C4'-P energy: -46.933
bonds (distance) P-C4' energy: -43.537
flat angles C4'-P-C4' energy: -28.902
flat angles P-C4'-P energy: -12.907
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: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -205.417152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.417152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.417152 (E_RNA)
where:
Base-Base interactions energy: -86.967
where: short stacking energy: -48.549
Base-Backbone interact. energy: 0.158
local terms energy: -118.608017
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -43.283
flat angles C4'-P-C4' energy: -27.809
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: 3.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -184.071102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.071102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.071102 (E_RNA)
where:
Base-Base interactions energy: -50.166
where: short stacking energy: -48.422
Base-Backbone interact. energy: 2.049
local terms energy: -135.954053
where:
bonds (distance) C4'-P energy: -37.045
bonds (distance) P-C4' energy: -42.962
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -21.396
tors. eta vs tors. theta energy: -1.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -594.797623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.797623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.797623 (E_RNA)
where:
Base-Base interactions energy: -388.284
where: short stacking energy: -190.619
Base-Backbone interact. energy: -0.289
local terms energy: -206.224507
where:
bonds (distance) C4'-P energy: -43.232
bonds (distance) P-C4' energy: -46.407
flat angles C4'-P-C4' energy: -35.097
flat angles P-C4'-P energy: -31.874
tors. eta vs tors. theta energy: -49.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -557.098014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.098014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.098014 (E_RNA)
where:
Base-Base interactions energy: -354.876
where: short stacking energy: -169.916
Base-Backbone interact. energy: -1.517
local terms energy: -200.704034
where:
bonds (distance) C4'-P energy: -35.836
bonds (distance) P-C4' energy: -41.410
flat angles C4'-P-C4' energy: -50.747
flat angles P-C4'-P energy: -24.536
tors. eta vs tors. theta energy: -48.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -545.196740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.196740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.196740 (E_RNA)
where:
Base-Base interactions energy: -343.077
where: short stacking energy: -170.298
Base-Backbone interact. energy: -1.334
local terms energy: -200.786225
where:
bonds (distance) C4'-P energy: -45.669
bonds (distance) P-C4' energy: -41.266
flat angles C4'-P-C4' energy: -44.263
flat angles P-C4'-P energy: -28.205
tors. eta vs tors. theta energy: -41.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -511.433773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.433773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.433773 (E_RNA)
where:
Base-Base interactions energy: -333.612
where: short stacking energy: -156.999
Base-Backbone interact. energy: -1.170
local terms energy: -176.651934
where:
bonds (distance) C4'-P energy: -36.610
bonds (distance) P-C4' energy: -38.648
flat angles C4'-P-C4' energy: -34.655
flat angles P-C4'-P energy: -26.282
tors. eta vs tors. theta energy: -40.457
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: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -473.110360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.110360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.110360 (E_RNA)
where:
Base-Base interactions energy: -303.994
where: short stacking energy: -135.129
Base-Backbone interact. energy: 0.896
local terms energy: -170.012447
where:
bonds (distance) C4'-P energy: -25.869
bonds (distance) P-C4' energy: -37.794
flat angles C4'-P-C4' energy: -39.170
flat angles P-C4'-P energy: -32.482
tors. eta vs tors. theta energy: -34.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -342.040778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.040778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.040778 (E_RNA)
where:
Base-Base interactions energy: -172.076
where: short stacking energy: -98.021
Base-Backbone interact. energy: 0.293
local terms energy: -170.257794
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -40.591
flat angles C4'-P-C4' energy: -41.800
flat angles P-C4'-P energy: -27.514
tors. eta vs tors. theta energy: -18.885
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: 2
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -238.928819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.928819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.928819 (E_RNA)
where:
Base-Base interactions energy: -82.481
where: short stacking energy: -65.731
Base-Backbone interact. energy: -0.078
local terms energy: -156.370660
where:
bonds (distance) C4'-P energy: -29.583
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -41.479
flat angles P-C4'-P energy: -28.540
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -224.906363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.906363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.906363 (E_RNA)
where:
Base-Base interactions energy: -86.874
where: short stacking energy: -75.558
Base-Backbone interact. energy: -3.730
local terms energy: -134.302821
where:
bonds (distance) C4'-P energy: -35.677
bonds (distance) P-C4' energy: -44.139
flat angles C4'-P-C4' energy: -35.433
flat angles P-C4'-P energy: -15.602
tors. eta vs tors. theta energy: -3.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -197.104283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.104283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.104283 (E_RNA)
where:
Base-Base interactions energy: -66.017
where: short stacking energy: -52.891
Base-Backbone interact. energy: 4.435
local terms energy: -135.522205
where:
bonds (distance) C4'-P energy: -36.317
bonds (distance) P-C4' energy: -44.714
flat angles C4'-P-C4' energy: -31.221
flat angles P-C4'-P energy: -20.925
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: 7
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -179.235136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.235136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.235136 (E_RNA)
where:
Base-Base interactions energy: -53.313
where: short stacking energy: -47.997
Base-Backbone interact. energy: 0.252
local terms energy: -126.173381
where:
bonds (distance) C4'-P energy: -47.619
bonds (distance) P-C4' energy: -42.549
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: 10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -592.490313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.490313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.490313 (E_RNA)
where:
Base-Base interactions energy: -365.967
where: short stacking energy: -185.167
Base-Backbone interact. energy: 1.550
local terms energy: -228.073889
where:
bonds (distance) C4'-P energy: -45.414
bonds (distance) P-C4' energy: -43.164
flat angles C4'-P-C4' energy: -44.499
flat angles P-C4'-P energy: -39.185
tors. eta vs tors. theta energy: -55.813
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: 2, replica: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -548.608014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.608014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.608014 (E_RNA)
where:
Base-Base interactions energy: -352.237
where: short stacking energy: -156.581
Base-Backbone interact. energy: -1.179
local terms energy: -195.191902
where:
bonds (distance) C4'-P energy: -42.316
bonds (distance) P-C4' energy: -42.642
flat angles C4'-P-C4' energy: -39.277
flat angles P-C4'-P energy: -27.137
tors. eta vs tors. theta energy: -43.820
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: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -518.644492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.644492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.644492 (E_RNA)
where:
Base-Base interactions energy: -323.478
where: short stacking energy: -150.730
Base-Backbone interact. energy: -0.173
local terms energy: -194.993449
where:
bonds (distance) C4'-P energy: -40.863
bonds (distance) P-C4' energy: -46.904
flat angles C4'-P-C4' energy: -44.539
flat angles P-C4'-P energy: -21.511
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: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -503.482982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.482982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.482982 (E_RNA)
where:
Base-Base interactions energy: -307.012
where: short stacking energy: -137.578
Base-Backbone interact. energy: -0.079
local terms energy: -196.392257
where:
bonds (distance) C4'-P energy: -36.765
bonds (distance) P-C4' energy: -41.494
flat angles C4'-P-C4' energy: -44.883
flat angles P-C4'-P energy: -34.587
tors. eta vs tors. theta energy: -38.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -494.973140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.973140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.973140 (E_RNA)
where:
Base-Base interactions energy: -304.201
where: short stacking energy: -142.589
Base-Backbone interact. energy: -0.820
local terms energy: -189.952165
where:
bonds (distance) C4'-P energy: -39.439
bonds (distance) P-C4' energy: -38.928
flat angles C4'-P-C4' energy: -41.595
flat angles P-C4'-P energy: -27.623
tors. eta vs tors. theta energy: -42.367
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: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -367.129317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.129317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.129317 (E_RNA)
where:
Base-Base interactions energy: -209.710
where: short stacking energy: -113.106
Base-Backbone interact. energy: 0.655
local terms energy: -158.073901
where:
bonds (distance) C4'-P energy: -33.015
bonds (distance) P-C4' energy: -41.044
flat angles C4'-P-C4' energy: -40.879
flat angles P-C4'-P energy: -21.752
tors. eta vs tors. theta energy: -21.384
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: 38
Temperature: 1.200000
Total energy: -221.822703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.822703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.822703 (E_RNA)
where:
Base-Base interactions energy: -79.443
where: short stacking energy: -69.870
Base-Backbone interact. energy: -0.372
local terms energy: -142.008237
where:
bonds (distance) C4'-P energy: -40.711
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -36.782
flat angles P-C4'-P energy: -21.532
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -225.813272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.813272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.813272 (E_RNA)
where:
Base-Base interactions energy: -91.936
where: short stacking energy: -66.084
Base-Backbone interact. energy: 0.161
local terms energy: -134.038760
where:
bonds (distance) C4'-P energy: -37.949
bonds (distance) P-C4' energy: -40.110
flat angles C4'-P-C4' energy: -41.206
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -6.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -193.346958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.346958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.346958 (E_RNA)
where:
Base-Base interactions energy: -71.647
where: short stacking energy: -62.742
Base-Backbone interact. energy: -0.958
local terms energy: -120.741690
where:
bonds (distance) C4'-P energy: -34.235
bonds (distance) P-C4' energy: -32.182
flat angles C4'-P-C4' energy: -40.595
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -3.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -171.911567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.911567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.911567 (E_RNA)
where:
Base-Base interactions energy: -63.674
where: short stacking energy: -56.574
Base-Backbone interact. energy: 0.992
local terms energy: -109.229907
where:
bonds (distance) C4'-P energy: -34.383
bonds (distance) P-C4' energy: -43.916
flat angles C4'-P-C4' energy: -22.418
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: 11.834
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: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -593.277006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.277006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.277006 (E_RNA)
where:
Base-Base interactions energy: -377.335
where: short stacking energy: -185.481
Base-Backbone interact. energy: -0.227
local terms energy: -215.714726
where:
bonds (distance) C4'-P energy: -42.171
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -46.441
flat angles P-C4'-P energy: -31.931
tors. eta vs tors. theta energy: -46.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -574.377909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.377909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.377909 (E_RNA)
where:
Base-Base interactions energy: -383.148
where: short stacking energy: -167.545
Base-Backbone interact. energy: 0.766
local terms energy: -191.995683
where:
bonds (distance) C4'-P energy: -36.922
bonds (distance) P-C4' energy: -42.289
flat angles C4'-P-C4' energy: -41.962
flat angles P-C4'-P energy: -29.185
tors. eta vs tors. theta energy: -41.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -528.272737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.272737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.272737 (E_RNA)
where:
Base-Base interactions energy: -340.644
where: short stacking energy: -160.207
Base-Backbone interact. energy: -0.368
local terms energy: -187.260355
where:
bonds (distance) C4'-P energy: -40.926
bonds (distance) P-C4' energy: -36.707
flat angles C4'-P-C4' energy: -44.844
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -41.530
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: 5
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -507.985999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.985999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.985999 (E_RNA)
where:
Base-Base interactions energy: -316.060
where: short stacking energy: -145.000
Base-Backbone interact. energy: -0.760
local terms energy: -191.166089
where:
bonds (distance) C4'-P energy: -45.318
bonds (distance) P-C4' energy: -33.009
flat angles C4'-P-C4' energy: -43.630
flat angles P-C4'-P energy: -27.450
tors. eta vs tors. theta energy: -41.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -503.675528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.675528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.675528 (E_RNA)
where:
Base-Base interactions energy: -312.730
where: short stacking energy: -142.593
Base-Backbone interact. energy: -0.563
local terms energy: -190.382558
where:
bonds (distance) C4'-P energy: -34.183
bonds (distance) P-C4' energy: -46.194
flat angles C4'-P-C4' energy: -46.165
flat angles P-C4'-P energy: -31.387
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: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -344.971880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.971880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.971880 (E_RNA)
where:
Base-Base interactions energy: -180.355
where: short stacking energy: -114.612
Base-Backbone interact. energy: -0.830
local terms energy: -163.786251
where:
bonds (distance) C4'-P energy: -32.367
bonds (distance) P-C4' energy: -35.817
flat angles C4'-P-C4' energy: -40.651
flat angles P-C4'-P energy: -28.173
tors. eta vs tors. theta energy: -26.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -242.906006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.906006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.906006 (E_RNA)
where:
Base-Base interactions energy: -92.256
where: short stacking energy: -76.332
Base-Backbone interact. energy: -0.461
local terms energy: -150.188442
where:
bonds (distance) C4'-P energy: -34.306
bonds (distance) P-C4' energy: -41.384
flat angles C4'-P-C4' energy: -38.354
flat angles P-C4'-P energy: -27.045
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -223.207961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.207961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.207961 (E_RNA)
where:
Base-Base interactions energy: -82.755
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.549
local terms energy: -139.903416
where:
bonds (distance) C4'-P energy: -39.314
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -40.343
flat angles P-C4'-P energy: -26.382
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -212.561430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.561430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.561430 (E_RNA)
where:
Base-Base interactions energy: -92.029
where: short stacking energy: -84.373
Base-Backbone interact. energy: 3.693
local terms energy: -124.225500
where:
bonds (distance) C4'-P energy: -32.091
bonds (distance) P-C4' energy: -47.981
flat angles C4'-P-C4' energy: -25.617
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -7.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -186.250046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.250046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.250046 (E_RNA)
where:
Base-Base interactions energy: -46.059
where: short stacking energy: -46.059
Base-Backbone interact. energy: 0.483
local terms energy: -140.674318
where:
bonds (distance) C4'-P energy: -42.867
bonds (distance) P-C4' energy: -38.145
flat angles C4'-P-C4' energy: -37.368
flat angles P-C4'-P energy: -28.274
tors. eta vs tors. theta energy: 5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -584.136995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.136995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.136995 (E_RNA)
where:
Base-Base interactions energy: -368.100
where: short stacking energy: -183.235
Base-Backbone interact. energy: 1.023
local terms energy: -217.059877
where:
bonds (distance) C4'-P energy: -43.156
bonds (distance) P-C4' energy: -47.451
flat angles C4'-P-C4' energy: -47.358
flat angles P-C4'-P energy: -31.011
tors. eta vs tors. theta energy: -48.084
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: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -556.471074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.471074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.471074 (E_RNA)
where:
Base-Base interactions energy: -353.591
where: short stacking energy: -159.399
Base-Backbone interact. energy: 0.136
local terms energy: -203.015567
where:
bonds (distance) C4'-P energy: -38.086
bonds (distance) P-C4' energy: -45.867
flat angles C4'-P-C4' energy: -46.991
flat angles P-C4'-P energy: -30.704
tors. eta vs tors. theta energy: -41.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -522.490423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.490423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.490423 (E_RNA)
where:
Base-Base interactions energy: -325.641
where: short stacking energy: -158.000
Base-Backbone interact. energy: -0.303
local terms energy: -196.546977
where:
bonds (distance) C4'-P energy: -39.893
bonds (distance) P-C4' energy: -35.311
flat angles C4'-P-C4' energy: -46.669
flat angles P-C4'-P energy: -29.901
tors. eta vs tors. theta energy: -44.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -506.719966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.719966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.719966 (E_RNA)
where:
Base-Base interactions energy: -312.382
where: short stacking energy: -143.593
Base-Backbone interact. energy: -1.242
local terms energy: -193.096514
where:
bonds (distance) C4'-P energy: -37.977
bonds (distance) P-C4' energy: -34.391
flat angles C4'-P-C4' energy: -40.335
flat angles P-C4'-P energy: -32.100
tors. eta vs tors. theta energy: -48.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -505.530502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.530502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.530502 (E_RNA)
where:
Base-Base interactions energy: -307.787
where: short stacking energy: -152.787
Base-Backbone interact. energy: -0.116
local terms energy: -197.626918
where:
bonds (distance) C4'-P energy: -36.793
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -37.175
flat angles P-C4'-P energy: -35.712
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: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -359.411245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.411245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.411245 (E_RNA)
where:
Base-Base interactions energy: -191.645
where: short stacking energy: -120.581
Base-Backbone interact. energy: -0.791
local terms energy: -166.974987
where:
bonds (distance) C4'-P energy: -37.949
bonds (distance) P-C4' energy: -39.869
flat angles C4'-P-C4' energy: -37.240
flat angles P-C4'-P energy: -24.149
tors. eta vs tors. theta energy: -27.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -232.146110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.146110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.146110 (E_RNA)
where:
Base-Base interactions energy: -88.766
where: short stacking energy: -72.725
Base-Backbone interact. energy: -0.523
local terms energy: -142.856423
where:
bonds (distance) C4'-P energy: -40.917
bonds (distance) P-C4' energy: -36.659
flat angles C4'-P-C4' energy: -40.984
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -5.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -230.092103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.092103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.092103 (E_RNA)
where:
Base-Base interactions energy: -81.739
where: short stacking energy: -69.454
Base-Backbone interact. energy: 0.366
local terms energy: -148.718880
where:
bonds (distance) C4'-P energy: -40.021
bonds (distance) P-C4' energy: -49.542
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -24.412
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: 9, replica: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -207.340748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.340748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.340748 (E_RNA)
where:
Base-Base interactions energy: -77.720
where: short stacking energy: -63.645
Base-Backbone interact. energy: -2.303
local terms energy: -127.317575
where:
bonds (distance) C4'-P energy: -34.326
bonds (distance) P-C4' energy: -36.066
flat angles C4'-P-C4' energy: -36.786
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -187.959053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.959053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.959053 (E_RNA)
where:
Base-Base interactions energy: -68.360
where: short stacking energy: -55.147
Base-Backbone interact. energy: -0.539
local terms energy: -119.060053
where:
bonds (distance) C4'-P energy: -32.465
bonds (distance) P-C4' energy: -34.253
flat angles C4'-P-C4' energy: -34.466
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: 3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -585.693624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.693624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.693624 (E_RNA)
where:
Base-Base interactions energy: -381.710
where: short stacking energy: -180.332
Base-Backbone interact. energy: -0.382
local terms energy: -203.601700
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -43.191
flat angles C4'-P-C4' energy: -45.687
flat angles P-C4'-P energy: -21.806
tors. eta vs tors. theta energy: -52.547
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: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -561.041314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.041314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.041314 (E_RNA)
where:
Base-Base interactions energy: -361.545
where: short stacking energy: -163.370
Base-Backbone interact. energy: -1.461
local terms energy: -198.035646
where:
bonds (distance) C4'-P energy: -42.289
bonds (distance) P-C4' energy: -48.759
flat angles C4'-P-C4' energy: -44.794
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -39.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -527.119005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.119005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.119005 (E_RNA)
where:
Base-Base interactions energy: -307.933
where: short stacking energy: -165.721
Base-Backbone interact. energy: -0.232
local terms energy: -218.953993
where:
bonds (distance) C4'-P energy: -49.363
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -45.502
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -49.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -499.655407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.655407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.655407 (E_RNA)
where:
Base-Base interactions energy: -311.120
where: short stacking energy: -158.124
Base-Backbone interact. energy: -0.180
local terms energy: -188.355322
where:
bonds (distance) C4'-P energy: -42.916
bonds (distance) P-C4' energy: -33.159
flat angles C4'-P-C4' energy: -40.907
flat angles P-C4'-P energy: -27.426
tors. eta vs tors. theta energy: -43.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -488.988164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.988164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.988164 (E_RNA)
where:
Base-Base interactions energy: -310.759
where: short stacking energy: -137.213
Base-Backbone interact. energy: 0.051
local terms energy: -178.279976
where:
bonds (distance) C4'-P energy: -30.879
bonds (distance) P-C4' energy: -39.643
flat angles C4'-P-C4' energy: -39.830
flat angles P-C4'-P energy: -29.277
tors. eta vs tors. theta energy: -38.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -242.045929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.045929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.045929 (E_RNA)
where:
Base-Base interactions energy: -99.139
where: short stacking energy: -83.791
Base-Backbone interact. energy: -0.551
local terms energy: -142.356012
where:
bonds (distance) C4'-P energy: -31.594
bonds (distance) P-C4' energy: -36.710
flat angles C4'-P-C4' energy: -38.414
flat angles P-C4'-P energy: -25.206
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: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -348.532417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.532417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.532417 (E_RNA)
where:
Base-Base interactions energy: -187.721
where: short stacking energy: -118.492
Base-Backbone interact. energy: -0.697
local terms energy: -160.114399
where:
bonds (distance) C4'-P energy: -40.821
bonds (distance) P-C4' energy: -38.852
flat angles C4'-P-C4' energy: -35.987
flat angles P-C4'-P energy: -19.325
tors. eta vs tors. theta energy: -25.129
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: 7
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -234.732480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.732480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.732480 (E_RNA)
where:
Base-Base interactions energy: -101.134
where: short stacking energy: -82.836
Base-Backbone interact. energy: 0.545
local terms energy: -134.143090
where:
bonds (distance) C4'-P energy: -37.091
bonds (distance) P-C4' energy: -37.364
flat angles C4'-P-C4' energy: -35.811
flat angles P-C4'-P energy: -19.631
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: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -212.465212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.465212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465212 (E_RNA)
where:
Base-Base interactions energy: -102.890
where: short stacking energy: -64.696
Base-Backbone interact. energy: -0.597
local terms energy: -108.977956
where:
bonds (distance) C4'-P energy: -35.024
bonds (distance) P-C4' energy: -34.794
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -8.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -196.079215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.079215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.079215 (E_RNA)
where:
Base-Base interactions energy: -63.946
where: short stacking energy: -46.250
Base-Backbone interact. energy: 1.073
local terms energy: -133.206140
where:
bonds (distance) C4'-P energy: -40.528
bonds (distance) P-C4' energy: -46.147
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -15.129
tors. eta vs tors. theta energy: 1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -575.545501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.545501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.545501 (E_RNA)
where:
Base-Base interactions energy: -376.133
where: short stacking energy: -165.057
Base-Backbone interact. energy: -1.436
local terms energy: -197.977141
where:
bonds (distance) C4'-P energy: -39.377
bonds (distance) P-C4' energy: -46.314
flat angles C4'-P-C4' energy: -38.408
flat angles P-C4'-P energy: -29.856
tors. eta vs tors. theta energy: -44.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -579.945087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.945087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.945087 (E_RNA)
where:
Base-Base interactions energy: -360.925
where: short stacking energy: -177.746
Base-Backbone interact. energy: -0.155
local terms energy: -218.864576
where:
bonds (distance) C4'-P energy: -46.525
bonds (distance) P-C4' energy: -40.883
flat angles C4'-P-C4' energy: -46.427
flat angles P-C4'-P energy: -31.198
tors. eta vs tors. theta energy: -53.832
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: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -477.275471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.275471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.275471 (E_RNA)
where:
Base-Base interactions energy: -287.956
where: short stacking energy: -132.422
Base-Backbone interact. energy: 0.836
local terms energy: -190.155519
where:
bonds (distance) C4'-P energy: -47.360
bonds (distance) P-C4' energy: -46.158
flat angles C4'-P-C4' energy: -39.060
flat angles P-C4'-P energy: -25.479
tors. eta vs tors. theta energy: -32.099
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: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -496.692675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.692675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.692675 (E_RNA)
where:
Base-Base interactions energy: -298.596
where: short stacking energy: -137.643
Base-Backbone interact. energy: -0.276
local terms energy: -197.820714
where:
bonds (distance) C4'-P energy: -39.315
bonds (distance) P-C4' energy: -47.845
flat angles C4'-P-C4' energy: -43.677
flat angles P-C4'-P energy: -30.112
tors. eta vs tors. theta energy: -36.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -505.767009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.767009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.767009 (E_RNA)
where:
Base-Base interactions energy: -326.101
where: short stacking energy: -142.886
Base-Backbone interact. energy: -1.250
local terms energy: -178.415458
where:
bonds (distance) C4'-P energy: -36.959
bonds (distance) P-C4' energy: -40.724
flat angles C4'-P-C4' energy: -38.690
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -38.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -242.547586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.547586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.547586 (E_RNA)
where:
Base-Base interactions energy: -94.861
where: short stacking energy: -80.400
Base-Backbone interact. energy: -1.042
local terms energy: -146.645206
where:
bonds (distance) C4'-P energy: -40.660
bonds (distance) P-C4' energy: -39.967
flat angles C4'-P-C4' energy: -34.572
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -6.472
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: 42
Temperature: 1.200000
Total energy: -379.278165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.278165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.278165 (E_RNA)
where:
Base-Base interactions energy: -213.294
where: short stacking energy: -118.630
Base-Backbone interact. energy: -0.600
local terms energy: -165.384733
where:
bonds (distance) C4'-P energy: -41.662
bonds (distance) P-C4' energy: -34.566
flat angles C4'-P-C4' energy: -40.514
flat angles P-C4'-P energy: -27.792
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -220.746308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.746308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.746308 (E_RNA)
where:
Base-Base interactions energy: -76.999
where: short stacking energy: -71.671
Base-Backbone interact. energy: -0.442
local terms energy: -143.305346
where:
bonds (distance) C4'-P energy: -38.380
bonds (distance) P-C4' energy: -41.469
flat angles C4'-P-C4' energy: -39.503
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -9.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -203.399425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.399425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.399425 (E_RNA)
where:
Base-Base interactions energy: -73.212
where: short stacking energy: -48.858
Base-Backbone interact. energy: -0.956
local terms energy: -129.231071
where:
bonds (distance) C4'-P energy: -34.173
bonds (distance) P-C4' energy: -33.210
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -26.909
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -192.780697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.780697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.780697 (E_RNA)
where:
Base-Base interactions energy: -68.325
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.302
local terms energy: -124.152922
where:
bonds (distance) C4'-P energy: -35.460
bonds (distance) P-C4' energy: -47.602
flat angles C4'-P-C4' energy: -25.895
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -1.927
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: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -590.151741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.151741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.151741 (E_RNA)
where:
Base-Base interactions energy: -366.276
where: short stacking energy: -180.905
Base-Backbone interact. energy: -1.053
local terms energy: -222.823133
where:
bonds (distance) C4'-P energy: -45.879
bonds (distance) P-C4' energy: -46.227
flat angles C4'-P-C4' energy: -49.240
flat angles P-C4'-P energy: -37.347
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: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -580.547240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.547240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.547240 (E_RNA)
where:
Base-Base interactions energy: -362.613
where: short stacking energy: -184.226
Base-Backbone interact. energy: -0.665
local terms energy: -217.269307
where:
bonds (distance) C4'-P energy: -45.060
bonds (distance) P-C4' energy: -41.563
flat angles C4'-P-C4' energy: -48.848
flat angles P-C4'-P energy: -27.525
tors. eta vs tors. theta energy: -54.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -482.949599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.949599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.949599 (E_RNA)
where:
Base-Base interactions energy: -287.695
where: short stacking energy: -149.949
Base-Backbone interact. energy: -1.141
local terms energy: -194.113700
where:
bonds (distance) C4'-P energy: -43.237
bonds (distance) P-C4' energy: -39.305
flat angles C4'-P-C4' energy: -44.755
flat angles P-C4'-P energy: -34.232
tors. eta vs tors. theta energy: -32.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -497.906104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.906104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.906104 (E_RNA)
where:
Base-Base interactions energy: -301.716
where: short stacking energy: -134.157
Base-Backbone interact. energy: 0.343
local terms energy: -196.532680
where:
bonds (distance) C4'-P energy: -49.256
bonds (distance) P-C4' energy: -45.303
flat angles C4'-P-C4' energy: -45.559
flat angles P-C4'-P energy: -24.425
tors. eta vs tors. theta energy: -31.989
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: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -507.837177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.837177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.837177 (E_RNA)
where:
Base-Base interactions energy: -316.859
where: short stacking energy: -148.678
Base-Backbone interact. energy: -0.182
local terms energy: -190.796624
where:
bonds (distance) C4'-P energy: -39.369
bonds (distance) P-C4' energy: -34.928
flat angles C4'-P-C4' energy: -45.179
flat angles P-C4'-P energy: -27.044
tors. eta vs tors. theta energy: -44.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -352.206079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.206079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.206079 (E_RNA)
where:
Base-Base interactions energy: -192.626
where: short stacking energy: -117.615
Base-Backbone interact. energy: -0.224
local terms energy: -159.355339
where:
bonds (distance) C4'-P energy: -34.854
bonds (distance) P-C4' energy: -34.031
flat angles C4'-P-C4' energy: -40.822
flat angles P-C4'-P energy: -25.281
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -228.142388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.142388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.142388 (E_RNA)
where:
Base-Base interactions energy: -94.557
where: short stacking energy: -79.458
Base-Backbone interact. energy: -0.840
local terms energy: -132.744968
where:
bonds (distance) C4'-P energy: -29.234
bonds (distance) P-C4' energy: -34.972
flat angles C4'-P-C4' energy: -43.206
flat angles P-C4'-P energy: -24.939
tors. eta vs tors. theta energy: -0.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -215.146806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.146806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.146806 (E_RNA)
where:
Base-Base interactions energy: -77.217
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.289
local terms energy: -137.640162
where:
bonds (distance) C4'-P energy: -37.387
bonds (distance) P-C4' energy: -36.184
flat angles C4'-P-C4' energy: -39.191
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -10.426
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: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -208.996046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.996046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.996046 (E_RNA)
where:
Base-Base interactions energy: -86.615
where: short stacking energy: -52.442
Base-Backbone interact. energy: 0.171
local terms energy: -122.552609
where:
bonds (distance) C4'-P energy: -33.902
bonds (distance) P-C4' energy: -38.547
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -0.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -188.206951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.206951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.206951 (E_RNA)
where:
Base-Base interactions energy: -50.139
where: short stacking energy: -50.855
Base-Backbone interact. energy: -0.347
local terms energy: -137.720712
where:
bonds (distance) C4'-P energy: -32.997
bonds (distance) P-C4' energy: -44.015
flat angles C4'-P-C4' energy: -27.764
flat angles P-C4'-P energy: -31.064
tors. eta vs tors. theta energy: -1.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -589.308196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.308196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.308196 (E_RNA)
where:
Base-Base interactions energy: -378.858
where: short stacking energy: -179.013
Base-Backbone interact. energy: -0.770
local terms energy: -209.679805
where:
bonds (distance) C4'-P energy: -45.899
bonds (distance) P-C4' energy: -44.794
flat angles C4'-P-C4' energy: -46.285
flat angles P-C4'-P energy: -29.481
tors. eta vs tors. theta energy: -43.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -592.550619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.550619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.550619 (E_RNA)
where:
Base-Base interactions energy: -378.850
where: short stacking energy: -191.742
Base-Backbone interact. energy: -0.839
local terms energy: -212.862108
where:
bonds (distance) C4'-P energy: -39.295
bonds (distance) P-C4' energy: -44.302
flat angles C4'-P-C4' energy: -45.486
flat angles P-C4'-P energy: -31.131
tors. eta vs tors. theta energy: -52.648
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: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -517.869162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.869162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.869162 (E_RNA)
where:
Base-Base interactions energy: -321.487
where: short stacking energy: -178.547
Base-Backbone interact. energy: -0.252
local terms energy: -196.130507
where:
bonds (distance) C4'-P energy: -37.421
bonds (distance) P-C4' energy: -45.173
flat angles C4'-P-C4' energy: -41.917
flat angles P-C4'-P energy: -24.052
tors. eta vs tors. theta energy: -47.568
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: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -478.573799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.573799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.573799 (E_RNA)
where:
Base-Base interactions energy: -291.872
where: short stacking energy: -128.590
Base-Backbone interact. energy: -0.858
local terms energy: -185.843693
where:
bonds (distance) C4'-P energy: -39.777
bonds (distance) P-C4' energy: -46.948
flat angles C4'-P-C4' energy: -41.271
flat angles P-C4'-P energy: -26.924
tors. eta vs tors. theta energy: -30.923
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: 3
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -501.476931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.476931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.476931 (E_RNA)
where:
Base-Base interactions energy: -311.795
where: short stacking energy: -140.815
Base-Backbone interact. energy: -0.210
local terms energy: -189.472173
where:
bonds (distance) C4'-P energy: -40.540
bonds (distance) P-C4' energy: -36.024
flat angles C4'-P-C4' energy: -48.151
flat angles P-C4'-P energy: -32.375
tors. eta vs tors. theta energy: -32.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -356.055450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.055450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.055450 (E_RNA)
where:
Base-Base interactions energy: -174.659
where: short stacking energy: -111.249
Base-Backbone interact. energy: -1.330
local terms energy: -180.066746
where:
bonds (distance) C4'-P energy: -47.318
bonds (distance) P-C4' energy: -28.673
flat angles C4'-P-C4' energy: -45.688
flat angles P-C4'-P energy: -28.221
tors. eta vs tors. theta energy: -30.168
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: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -239.074066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.074066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.074066 (E_RNA)
where:
Base-Base interactions energy: -96.860
where: short stacking energy: -81.194
Base-Backbone interact. energy: -0.276
local terms energy: -141.938592
where:
bonds (distance) C4'-P energy: -31.344
bonds (distance) P-C4' energy: -45.410
flat angles C4'-P-C4' energy: -41.083
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -196.349278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.349278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.349278 (E_RNA)
where:
Base-Base interactions energy: -56.866
where: short stacking energy: -53.192
Base-Backbone interact. energy: 0.908
local terms energy: -140.390783
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -44.439
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -28.489
tors. eta vs tors. theta energy: 3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -191.019508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.019508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.019508 (E_RNA)
where:
Base-Base interactions energy: -78.273
where: short stacking energy: -62.846
Base-Backbone interact. energy: -0.946
local terms energy: -111.800111
where:
bonds (distance) C4'-P energy: -35.063
bonds (distance) P-C4' energy: -32.544
flat angles C4'-P-C4' energy: -39.308
flat angles P-C4'-P energy: -2.928
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: 10, replica: 7
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -193.376795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.376795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.376795 (E_RNA)
where:
Base-Base interactions energy: -65.882
where: short stacking energy: -47.024
Base-Backbone interact. energy: -0.010
local terms energy: -127.485053
where:
bonds (distance) C4'-P energy: -35.345
bonds (distance) P-C4' energy: -40.283
flat angles C4'-P-C4' energy: -32.144
flat angles P-C4'-P energy: -24.090
tors. eta vs tors. theta energy: 4.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -578.347889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.347889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.347889 (E_RNA)
where:
Base-Base interactions energy: -363.131
where: short stacking energy: -173.848
Base-Backbone interact. energy: 0.217
local terms energy: -215.434669
where:
bonds (distance) C4'-P energy: -40.848
bonds (distance) P-C4' energy: -49.824
flat angles C4'-P-C4' energy: -44.637
flat angles P-C4'-P energy: -28.741
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: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -589.705115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.705115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.705115 (E_RNA)
where:
Base-Base interactions energy: -374.302
where: short stacking energy: -188.000
Base-Backbone interact. energy: -0.546
local terms energy: -214.857353
where:
bonds (distance) C4'-P energy: -48.307
bonds (distance) P-C4' energy: -40.178
flat angles C4'-P-C4' energy: -44.874
flat angles P-C4'-P energy: -30.805
tors. eta vs tors. theta energy: -50.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -494.805552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.805552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.805552 (E_RNA)
where:
Base-Base interactions energy: -301.204
where: short stacking energy: -170.708
Base-Backbone interact. energy: -0.133
local terms energy: -193.468597
where:
bonds (distance) C4'-P energy: -40.857
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -39.436
flat angles P-C4'-P energy: -25.052
tors. eta vs tors. theta energy: -44.066
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: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -499.213305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.213305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.213305 (E_RNA)
where:
Base-Base interactions energy: -317.594
where: short stacking energy: -159.443
Base-Backbone interact. energy: -0.212
local terms energy: -181.407020
where:
bonds (distance) C4'-P energy: -29.914
bonds (distance) P-C4' energy: -41.888
flat angles C4'-P-C4' energy: -42.200
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -44.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -507.100142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.100142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.100142 (E_RNA)
where:
Base-Base interactions energy: -323.082
where: short stacking energy: -145.535
Base-Backbone interact. energy: -0.801
local terms energy: -183.217580
where:
bonds (distance) C4'-P energy: -39.124
bonds (distance) P-C4' energy: -46.607
flat angles C4'-P-C4' energy: -38.861
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -37.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -352.756973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.756973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.756973 (E_RNA)
where:
Base-Base interactions energy: -193.894
where: short stacking energy: -119.236
Base-Backbone interact. energy: -0.115
local terms energy: -158.747675
where:
bonds (distance) C4'-P energy: -39.324
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -33.810
flat angles P-C4'-P energy: -23.734
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -236.265636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.265636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.265636 (E_RNA)
where:
Base-Base interactions energy: -106.669
where: short stacking energy: -81.367
Base-Backbone interact. energy: -0.945
local terms energy: -128.651760
where:
bonds (distance) C4'-P energy: -43.584
bonds (distance) P-C4' energy: -31.913
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -24.997
tors. eta vs tors. theta energy: 2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -209.747207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.747207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.747207 (E_RNA)
where:
Base-Base interactions energy: -76.828
where: short stacking energy: -61.097
Base-Backbone interact. energy: 1.042
local terms energy: -133.961228
where:
bonds (distance) C4'-P energy: -31.058
bonds (distance) P-C4' energy: -44.852
flat angles C4'-P-C4' energy: -33.978
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -192.467808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.467808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.467808 (E_RNA)
where:
Base-Base interactions energy: -56.745
where: short stacking energy: -50.207
Base-Backbone interact. energy: -0.593
local terms energy: -135.130193
where:
bonds (distance) C4'-P energy: -35.180
bonds (distance) P-C4' energy: -41.686
flat angles C4'-P-C4' energy: -40.405
flat angles P-C4'-P energy: -28.119
tors. eta vs tors. theta energy: 10.259
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: 7
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -173.798405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.798405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.798405 (E_RNA)
where:
Base-Base interactions energy: -59.467
where: short stacking energy: -52.901
Base-Backbone interact. energy: 5.620
local terms energy: -119.951974
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -35.905
flat angles C4'-P-C4' energy: -33.182
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -601.042555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.042555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.042555 (E_RNA)
where:
Base-Base interactions energy: -376.393
where: short stacking energy: -191.812
Base-Backbone interact. energy: 0.645
local terms energy: -225.294412
where:
bonds (distance) C4'-P energy: -43.162
bonds (distance) P-C4' energy: -46.921
flat angles C4'-P-C4' energy: -47.550
flat angles P-C4'-P energy: -30.967
tors. eta vs tors. theta energy: -56.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -527.456888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.456888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.456888 (E_RNA)
where:
Base-Base interactions energy: -340.713
where: short stacking energy: -147.358
Base-Backbone interact. energy: 0.022
local terms energy: -186.765837
where:
bonds (distance) C4'-P energy: -40.889
bonds (distance) P-C4' energy: -40.481
flat angles C4'-P-C4' energy: -45.714
flat angles P-C4'-P energy: -24.496
tors. eta vs tors. theta energy: -35.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -539.698383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.698383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.698383 (E_RNA)
where:
Base-Base interactions energy: -335.776
where: short stacking energy: -164.235
Base-Backbone interact. energy: -0.422
local terms energy: -203.500640
where:
bonds (distance) C4'-P energy: -40.596
bonds (distance) P-C4' energy: -41.293
flat angles C4'-P-C4' energy: -43.342
flat angles P-C4'-P energy: -30.692
tors. eta vs tors. theta energy: -47.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -521.591555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.591555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.591555 (E_RNA)
where:
Base-Base interactions energy: -329.415
where: short stacking energy: -175.244
Base-Backbone interact. energy: 1.326
local terms energy: -193.502795
where:
bonds (distance) C4'-P energy: -40.189
bonds (distance) P-C4' energy: -46.053
flat angles C4'-P-C4' energy: -39.355
flat angles P-C4'-P energy: -18.101
tors. eta vs tors. theta energy: -49.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -530.887613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.887613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.887613 (E_RNA)
where:
Base-Base interactions energy: -358.402
where: short stacking energy: -169.796
Base-Backbone interact. energy: -1.481
local terms energy: -171.004870
where:
bonds (distance) C4'-P energy: -39.675
bonds (distance) P-C4' energy: -34.444
flat angles C4'-P-C4' energy: -33.907
flat angles P-C4'-P energy: -25.643
tors. eta vs tors. theta energy: -37.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -360.158408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.158408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.158408 (E_RNA)
where:
Base-Base interactions energy: -203.167
where: short stacking energy: -116.834
Base-Backbone interact. energy: -0.272
local terms energy: -156.719059
where:
bonds (distance) C4'-P energy: -35.688
bonds (distance) P-C4' energy: -38.507
flat angles C4'-P-C4' energy: -36.796
flat angles P-C4'-P energy: -24.056
tors. eta vs tors. theta energy: -21.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -255.062397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.062397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.062397 (E_RNA)
where:
Base-Base interactions energy: -106.706
where: short stacking energy: -67.943
Base-Backbone interact. energy: 1.060
local terms energy: -149.416916
where:
bonds (distance) C4'-P energy: -43.729
bonds (distance) P-C4' energy: -41.872
flat angles C4'-P-C4' energy: -37.823
flat angles P-C4'-P energy: -21.167
tors. eta vs tors. theta energy: -4.826
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: 2
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -214.924756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.924756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.924756 (E_RNA)
where:
Base-Base interactions energy: -80.711
where: short stacking energy: -52.428
Base-Backbone interact. energy: 1.359
local terms energy: -135.572139
where:
bonds (distance) C4'-P energy: -37.156
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -39.083
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: 5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -183.589806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.589806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.589806 (E_RNA)
where:
Base-Base interactions energy: -58.516
where: short stacking energy: -58.516
Base-Backbone interact. energy: -0.103
local terms energy: -124.971290
where:
bonds (distance) C4'-P energy: -34.715
bonds (distance) P-C4' energy: -39.781
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -19.012
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: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -201.589645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.589645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.589645 (E_RNA)
where:
Base-Base interactions energy: -75.637
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.306
local terms energy: -125.647055
where:
bonds (distance) C4'-P energy: -31.227
bonds (distance) P-C4' energy: -43.482
flat angles C4'-P-C4' energy: -32.800
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -598.182858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.182858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.182858 (E_RNA)
where:
Base-Base interactions energy: -367.425
where: short stacking energy: -177.381
Base-Backbone interact. energy: -0.280
local terms energy: -230.477677
where:
bonds (distance) C4'-P energy: -40.358
bonds (distance) P-C4' energy: -48.639
flat angles C4'-P-C4' energy: -51.859
flat angles P-C4'-P energy: -35.103
tors. eta vs tors. theta energy: -54.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -556.098821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.098821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.098821 (E_RNA)
where:
Base-Base interactions energy: -349.319
where: short stacking energy: -167.450
Base-Backbone interact. energy: -0.252
local terms energy: -206.528092
where:
bonds (distance) C4'-P energy: -38.799
bonds (distance) P-C4' energy: -44.574
flat angles C4'-P-C4' energy: -53.071
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: -43.996
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: 47
Temperature: 1.000000
Total energy: -547.593912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.593912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.593912 (E_RNA)
where:
Base-Base interactions energy: -350.647
where: short stacking energy: -135.868
Base-Backbone interact. energy: -1.046
local terms energy: -195.901584
where:
bonds (distance) C4'-P energy: -47.934
bonds (distance) P-C4' energy: -46.301
flat angles C4'-P-C4' energy: -39.351
flat angles P-C4'-P energy: -27.998
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: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -524.958736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.958736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.958736 (E_RNA)
where:
Base-Base interactions energy: -334.384
where: short stacking energy: -149.451
Base-Backbone interact. energy: 0.395
local terms energy: -190.969590
where:
bonds (distance) C4'-P energy: -38.078
bonds (distance) P-C4' energy: -41.191
flat angles C4'-P-C4' energy: -49.369
flat angles P-C4'-P energy: -27.475
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: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -486.457209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.457209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.457209 (E_RNA)
where:
Base-Base interactions energy: -286.980
where: short stacking energy: -147.895
Base-Backbone interact. energy: -1.455
local terms energy: -198.022437
where:
bonds (distance) C4'-P energy: -38.239
bonds (distance) P-C4' energy: -41.525
flat angles C4'-P-C4' energy: -44.402
flat angles P-C4'-P energy: -22.948
tors. eta vs tors. theta energy: -50.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -350.200853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.200853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.200853 (E_RNA)
where:
Base-Base interactions energy: -189.283
where: short stacking energy: -108.621
Base-Backbone interact. energy: -0.417
local terms energy: -160.500806
where:
bonds (distance) C4'-P energy: -38.355
bonds (distance) P-C4' energy: -32.002
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -29.503
tors. eta vs tors. theta energy: -28.653
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: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -270.583361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.583361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.583361 (E_RNA)
where:
Base-Base interactions energy: -136.776
where: short stacking energy: -72.283
Base-Backbone interact. energy: -1.677
local terms energy: -132.130546
where:
bonds (distance) C4'-P energy: -27.113
bonds (distance) P-C4' energy: -43.570
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -26.426
tors. eta vs tors. theta energy: -5.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -216.589954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.589954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.589954 (E_RNA)
where:
Base-Base interactions energy: -73.476
where: short stacking energy: -71.855
Base-Backbone interact. energy: -1.530
local terms energy: -141.583994
where:
bonds (distance) C4'-P energy: -32.357
bonds (distance) P-C4' energy: -36.877
flat angles C4'-P-C4' energy: -33.307
flat angles P-C4'-P energy: -24.976
tors. eta vs tors. theta energy: -14.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -197.589699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.589699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.589699 (E_RNA)
where:
Base-Base interactions energy: -78.146
where: short stacking energy: -65.310
Base-Backbone interact. energy: 0.815
local terms energy: -120.258708
where:
bonds (distance) C4'-P energy: -41.086
bonds (distance) P-C4' energy: -25.535
flat angles C4'-P-C4' energy: -32.140
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -192.136259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.136259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.136259 (E_RNA)
where:
Base-Base interactions energy: -75.520
where: short stacking energy: -52.334
Base-Backbone interact. energy: -0.898
local terms energy: -115.717687
where:
bonds (distance) C4'-P energy: -37.969
bonds (distance) P-C4' energy: -27.334
flat angles C4'-P-C4' energy: -36.383
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: 4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -571.331086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.331086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.331086 (E_RNA)
where:
Base-Base interactions energy: -356.438
where: short stacking energy: -183.228
Base-Backbone interact. energy: -0.119
local terms energy: -214.773621
where:
bonds (distance) C4'-P energy: -36.839
bonds (distance) P-C4' energy: -35.510
flat angles C4'-P-C4' energy: -50.338
flat angles P-C4'-P energy: -38.893
tors. eta vs tors. theta energy: -53.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -555.727025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.727025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.727025 (E_RNA)
where:
Base-Base interactions energy: -354.338
where: short stacking energy: -160.314
Base-Backbone interact. energy: -0.550
local terms energy: -200.838976
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -46.432
flat angles C4'-P-C4' energy: -41.155
flat angles P-C4'-P energy: -23.488
tors. eta vs tors. theta energy: -46.996
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: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -565.681375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.681375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.681375 (E_RNA)
where:
Base-Base interactions energy: -353.236
where: short stacking energy: -178.403
Base-Backbone interact. energy: 1.341
local terms energy: -213.786811
where:
bonds (distance) C4'-P energy: -40.901
bonds (distance) P-C4' energy: -42.947
flat angles C4'-P-C4' energy: -48.446
flat angles P-C4'-P energy: -32.818
tors. eta vs tors. theta energy: -48.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -528.892882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.892882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.892882 (E_RNA)
where:
Base-Base interactions energy: -339.297
where: short stacking energy: -150.109
Base-Backbone interact. energy: -2.243
local terms energy: -187.353334
where:
bonds (distance) C4'-P energy: -35.601
bonds (distance) P-C4' energy: -46.060
flat angles C4'-P-C4' energy: -46.926
flat angles P-C4'-P energy: -22.523
tors. eta vs tors. theta energy: -36.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -478.922434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.922434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.922434 (E_RNA)
where:
Base-Base interactions energy: -279.061
where: short stacking energy: -149.008
Base-Backbone interact. energy: -0.379
local terms energy: -199.482414
where:
bonds (distance) C4'-P energy: -40.759
bonds (distance) P-C4' energy: -42.795
flat angles C4'-P-C4' energy: -40.051
flat angles P-C4'-P energy: -29.314
tors. eta vs tors. theta energy: -46.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -353.936924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.936924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.936924 (E_RNA)
where:
Base-Base interactions energy: -195.477
where: short stacking energy: -110.016
Base-Backbone interact. energy: -1.225
local terms energy: -157.234926
where:
bonds (distance) C4'-P energy: -28.597
bonds (distance) P-C4' energy: -46.503
flat angles C4'-P-C4' energy: -38.542
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -26.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -219.238686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.238686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.238686 (E_RNA)
where:
Base-Base interactions energy: -73.408
where: short stacking energy: -62.131
Base-Backbone interact. energy: -0.495
local terms energy: -145.336064
where:
bonds (distance) C4'-P energy: -42.514
bonds (distance) P-C4' energy: -38.130
flat angles C4'-P-C4' energy: -42.613
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: 3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -246.787629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.787629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.787629 (E_RNA)
where:
Base-Base interactions energy: -121.768
where: short stacking energy: -65.989
Base-Backbone interact. energy: -1.179
local terms energy: -123.839722
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -32.093
flat angles C4'-P-C4' energy: -31.483
flat angles P-C4'-P energy: -28.617
tors. eta vs tors. theta energy: 3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -235.608965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.608965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.608965 (E_RNA)
where:
Base-Base interactions energy: -108.107
where: short stacking energy: -71.920
Base-Backbone interact. energy: -0.499
local terms energy: -127.002561
where:
bonds (distance) C4'-P energy: -34.840
bonds (distance) P-C4' energy: -44.232
flat angles C4'-P-C4' energy: -24.237
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -6.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -177.969206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.969206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.969206 (E_RNA)
where:
Base-Base interactions energy: -61.118
where: short stacking energy: -54.475
Base-Backbone interact. energy: -0.875
local terms energy: -115.975277
where:
bonds (distance) C4'-P energy: -37.973
bonds (distance) P-C4' energy: -32.214
flat angles C4'-P-C4' energy: -36.298
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: 5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -595.469212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.469212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.469212 (E_RNA)
where:
Base-Base interactions energy: -374.015
where: short stacking energy: -196.905
Base-Backbone interact. energy: 1.094
local terms energy: -222.547618
where:
bonds (distance) C4'-P energy: -39.721
bonds (distance) P-C4' energy: -46.397
flat angles C4'-P-C4' energy: -51.966
flat angles P-C4'-P energy: -32.991
tors. eta vs tors. theta energy: -51.472
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: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -563.762439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.762439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.762439 (E_RNA)
where:
Base-Base interactions energy: -344.730
where: short stacking energy: -180.004
Base-Backbone interact. energy: -1.363
local terms energy: -217.670124
where:
bonds (distance) C4'-P energy: -46.117
bonds (distance) P-C4' energy: -45.172
flat angles C4'-P-C4' energy: -46.379
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -55.648
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: 3, replica: 5
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -573.626110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.626110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.626110 (E_RNA)
where:
Base-Base interactions energy: -373.373
where: short stacking energy: -168.774
Base-Backbone interact. energy: 1.022
local terms energy: -201.275044
where:
bonds (distance) C4'-P energy: -40.857
bonds (distance) P-C4' energy: -44.954
flat angles C4'-P-C4' energy: -40.296
flat angles P-C4'-P energy: -28.095
tors. eta vs tors. theta energy: -47.073
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: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -539.256397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.256397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.256397 (E_RNA)
where:
Base-Base interactions energy: -347.173
where: short stacking energy: -156.886
Base-Backbone interact. energy: -0.991
local terms energy: -191.091679
where:
bonds (distance) C4'-P energy: -37.343
bonds (distance) P-C4' energy: -36.710
flat angles C4'-P-C4' energy: -45.207
flat angles P-C4'-P energy: -27.833
tors. eta vs tors. theta energy: -43.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -442.630958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.630958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.630958 (E_RNA)
where:
Base-Base interactions energy: -275.999
where: short stacking energy: -127.402
Base-Backbone interact. energy: -1.393
local terms energy: -165.238110
where:
bonds (distance) C4'-P energy: -37.381
bonds (distance) P-C4' energy: -34.904
flat angles C4'-P-C4' energy: -38.516
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -28.423
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: 9
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -366.030439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.030439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.030439 (E_RNA)
where:
Base-Base interactions energy: -200.823
where: short stacking energy: -116.650
Base-Backbone interact. energy: -0.761
local terms energy: -164.445957
where:
bonds (distance) C4'-P energy: -37.877
bonds (distance) P-C4' energy: -32.695
flat angles C4'-P-C4' energy: -36.340
flat angles P-C4'-P energy: -35.327
tors. eta vs tors. theta energy: -22.207
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: 2
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -243.456521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.456521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.456521 (E_RNA)
where:
Base-Base interactions energy: -105.066
where: short stacking energy: -67.178
Base-Backbone interact. energy: -0.041
local terms energy: -138.349433
where:
bonds (distance) C4'-P energy: -33.922
bonds (distance) P-C4' energy: -41.804
flat angles C4'-P-C4' energy: -39.065
flat angles P-C4'-P energy: -21.251
tors. eta vs tors. theta energy: -2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -212.082176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.082176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.082176 (E_RNA)
where:
Base-Base interactions energy: -88.150
where: short stacking energy: -76.234
Base-Backbone interact. energy: -0.855
local terms energy: -123.077781
where:
bonds (distance) C4'-P energy: -36.106
bonds (distance) P-C4' energy: -39.007
flat angles C4'-P-C4' energy: -30.330
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -215.216905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.216905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.216905 (E_RNA)
where:
Base-Base interactions energy: -82.235
where: short stacking energy: -66.547
Base-Backbone interact. energy: 0.446
local terms energy: -133.427865
where:
bonds (distance) C4'-P energy: -37.752
bonds (distance) P-C4' energy: -40.523
flat angles C4'-P-C4' energy: -33.142
flat angles P-C4'-P energy: -22.945
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: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -188.903531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.903531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.903531 (E_RNA)
where:
Base-Base interactions energy: -89.030
where: short stacking energy: -57.684
Base-Backbone interact. energy: -0.005
local terms energy: -99.868450
where:
bonds (distance) C4'-P energy: -28.520
bonds (distance) P-C4' energy: -31.531
flat angles C4'-P-C4' energy: -35.874
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: 1.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -581.030491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.030491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.030491 (E_RNA)
where:
Base-Base interactions energy: -356.020
where: short stacking energy: -177.270
Base-Backbone interact. energy: -1.875
local terms energy: -223.135715
where:
bonds (distance) C4'-P energy: -41.035
bonds (distance) P-C4' energy: -50.951
flat angles C4'-P-C4' energy: -45.195
flat angles P-C4'-P energy: -35.598
tors. eta vs tors. theta energy: -50.357
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: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -556.271236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.271236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.271236 (E_RNA)
where:
Base-Base interactions energy: -343.533
where: short stacking energy: -168.302
Base-Backbone interact. energy: -1.365
local terms energy: -211.373890
where:
bonds (distance) C4'-P energy: -41.780
bonds (distance) P-C4' energy: -44.343
flat angles C4'-P-C4' energy: -48.677
flat angles P-C4'-P energy: -33.760
tors. eta vs tors. theta energy: -42.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -584.813461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.813461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.813461 (E_RNA)
where:
Base-Base interactions energy: -369.923
where: short stacking energy: -175.507
Base-Backbone interact. energy: 1.033
local terms energy: -215.923381
where:
bonds (distance) C4'-P energy: -45.902
bonds (distance) P-C4' energy: -39.953
flat angles C4'-P-C4' energy: -45.023
flat angles P-C4'-P energy: -31.919
tors. eta vs tors. theta energy: -53.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -494.489397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.489397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.489397 (E_RNA)
where:
Base-Base interactions energy: -301.857
where: short stacking energy: -137.631
Base-Backbone interact. energy: -1.746
local terms energy: -190.886873
where:
bonds (distance) C4'-P energy: -43.282
bonds (distance) P-C4' energy: -38.966
flat angles C4'-P-C4' energy: -44.356
flat angles P-C4'-P energy: -34.032
tors. eta vs tors. theta energy: -30.251
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: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -498.369341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.369341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.369341 (E_RNA)
where:
Base-Base interactions energy: -309.579
where: short stacking energy: -163.764
Base-Backbone interact. energy: -0.572
local terms energy: -188.218920
where:
bonds (distance) C4'-P energy: -38.372
bonds (distance) P-C4' energy: -46.810
flat angles C4'-P-C4' energy: -30.741
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -48.599
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: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -298.188353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.188353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.188353 (E_RNA)
where:
Base-Base interactions energy: -138.562
where: short stacking energy: -93.351
Base-Backbone interact. energy: -0.680
local terms energy: -158.946180
where:
bonds (distance) C4'-P energy: -37.595
bonds (distance) P-C4' energy: -37.050
flat angles C4'-P-C4' energy: -42.464
flat angles P-C4'-P energy: -26.158
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -243.686390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.686390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.686390 (E_RNA)
where:
Base-Base interactions energy: -96.920
where: short stacking energy: -67.579
Base-Backbone interact. energy: -0.844
local terms energy: -145.921873
where:
bonds (distance) C4'-P energy: -38.135
bonds (distance) P-C4' energy: -39.512
flat angles C4'-P-C4' energy: -39.707
flat angles P-C4'-P energy: -20.803
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -219.350888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.350888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.350888 (E_RNA)
where:
Base-Base interactions energy: -78.449
where: short stacking energy: -72.235
Base-Backbone interact. energy: 0.946
local terms energy: -141.848524
where:
bonds (distance) C4'-P energy: -35.048
bonds (distance) P-C4' energy: -45.150
flat angles C4'-P-C4' energy: -40.103
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -11.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -237.970420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.970420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.970420 (E_RNA)
where:
Base-Base interactions energy: -105.584
where: short stacking energy: -75.958
Base-Backbone interact. energy: 2.258
local terms energy: -134.644360
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -35.202
flat angles C4'-P-C4' energy: -33.098
flat angles P-C4'-P energy: -26.565
tors. eta vs tors. theta energy: -4.329
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: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -189.696560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.696560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.696560 (E_RNA)
where:
Base-Base interactions energy: -64.325
where: short stacking energy: -59.185
Base-Backbone interact. energy: 1.046
local terms energy: -126.417725
where:
bonds (distance) C4'-P energy: -40.203
bonds (distance) P-C4' energy: -33.603
flat angles C4'-P-C4' energy: -39.019
flat angles P-C4'-P energy: -16.737
tors. eta vs tors. theta energy: 3.145
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: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -582.032662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.032662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.032662 (E_RNA)
where:
Base-Base interactions energy: -361.183
where: short stacking energy: -166.932
Base-Backbone interact. energy: -1.030
local terms energy: -219.819232
where:
bonds (distance) C4'-P energy: -43.993
bonds (distance) P-C4' energy: -47.234
flat angles C4'-P-C4' energy: -50.783
flat angles P-C4'-P energy: -30.748
tors. eta vs tors. theta energy: -47.061
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: 2, replica: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -608.496419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.496419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.496419 (E_RNA)
where:
Base-Base interactions energy: -389.775
where: short stacking energy: -203.073
Base-Backbone interact. energy: -0.515
local terms energy: -218.206009
where:
bonds (distance) C4'-P energy: -36.867
bonds (distance) P-C4' energy: -37.441
flat angles C4'-P-C4' energy: -46.483
flat angles P-C4'-P energy: -37.626
tors. eta vs tors. theta energy: -59.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -557.493921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.493921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.493921 (E_RNA)
where:
Base-Base interactions energy: -350.275
where: short stacking energy: -177.399
Base-Backbone interact. energy: -0.759
local terms energy: -206.459733
where:
bonds (distance) C4'-P energy: -47.504
bonds (distance) P-C4' energy: -41.309
flat angles C4'-P-C4' energy: -35.657
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -48.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -493.574750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.574750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.574750 (E_RNA)
where:
Base-Base interactions energy: -317.962
where: short stacking energy: -143.109
Base-Backbone interact. energy: -1.669
local terms energy: -173.943285
where:
bonds (distance) C4'-P energy: -42.391
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -32.946
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -38.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -476.151953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.151953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.151953 (E_RNA)
where:
Base-Base interactions energy: -277.214
where: short stacking energy: -148.176
Base-Backbone interact. energy: -0.303
local terms energy: -198.635025
where:
bonds (distance) C4'-P energy: -43.708
bonds (distance) P-C4' energy: -44.807
flat angles C4'-P-C4' energy: -45.681
flat angles P-C4'-P energy: -22.629
tors. eta vs tors. theta energy: -41.810
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: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -361.640101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.640101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.640101 (E_RNA)
where:
Base-Base interactions energy: -191.888
where: short stacking energy: -103.324
Base-Backbone interact. energy: 0.075
local terms energy: -169.826906
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -45.014
flat angles C4'-P-C4' energy: -31.491
flat angles P-C4'-P energy: -29.953
tors. eta vs tors. theta energy: -19.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -246.913855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.913855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.913855 (E_RNA)
where:
Base-Base interactions energy: -86.703
where: short stacking energy: -81.269
Base-Backbone interact. energy: 0.626
local terms energy: -160.836385
where:
bonds (distance) C4'-P energy: -42.765
bonds (distance) P-C4' energy: -39.807
flat angles C4'-P-C4' energy: -42.345
flat angles P-C4'-P energy: -29.756
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -294.281082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.281082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.281082 (E_RNA)
where:
Base-Base interactions energy: -146.855
where: short stacking energy: -96.827
Base-Backbone interact. energy: -0.659
local terms energy: -146.767180
where:
bonds (distance) C4'-P energy: -36.072
bonds (distance) P-C4' energy: -43.984
flat angles C4'-P-C4' energy: -33.086
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -189.742756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.742756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.742756 (E_RNA)
where:
Base-Base interactions energy: -75.857
where: short stacking energy: -53.605
Base-Backbone interact. energy: 0.243
local terms energy: -114.128708
where:
bonds (distance) C4'-P energy: -36.769
bonds (distance) P-C4' energy: -38.102
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -19.121
tors. eta vs tors. theta energy: 6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -188.630153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.630153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.630153 (E_RNA)
where:
Base-Base interactions energy: -64.295
where: short stacking energy: -44.152
Base-Backbone interact. energy: -0.744
local terms energy: -123.591572
where:
bonds (distance) C4'-P energy: -35.477
bonds (distance) P-C4' energy: -37.948
flat angles C4'-P-C4' energy: -29.602
flat angles P-C4'-P energy: -24.454
tors. eta vs tors. theta energy: 3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -642.757665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.757665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.757665 (E_RNA)
where:
Base-Base interactions energy: -408.771
where: short stacking energy: -207.212
Base-Backbone interact. energy: -1.665
local terms energy: -232.322368
where:
bonds (distance) C4'-P energy: -41.064
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -49.778
flat angles P-C4'-P energy: -37.691
tors. eta vs tors. theta energy: -64.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -584.854758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.854758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.854758 (E_RNA)
where:
Base-Base interactions energy: -363.052
where: short stacking energy: -191.916
Base-Backbone interact. energy: -0.128
local terms energy: -221.673882
where:
bonds (distance) C4'-P energy: -41.905
bonds (distance) P-C4' energy: -43.574
flat angles C4'-P-C4' energy: -41.041
flat angles P-C4'-P energy: -33.662
tors. eta vs tors. theta energy: -61.491
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: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -566.633194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.633194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.633194 (E_RNA)
where:
Base-Base interactions energy: -359.941
where: short stacking energy: -186.274
Base-Backbone interact. energy: -0.186
local terms energy: -206.506279
where:
bonds (distance) C4'-P energy: -45.772
bonds (distance) P-C4' energy: -36.337
flat angles C4'-P-C4' energy: -45.816
flat angles P-C4'-P energy: -28.497
tors. eta vs tors. theta energy: -50.084
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: 52
Temperature: 1.050000
Total energy: -511.673761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.673761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.673761 (E_RNA)
where:
Base-Base interactions energy: -317.751
where: short stacking energy: -154.616
Base-Backbone interact. energy: -3.606
local terms energy: -190.316858
where:
bonds (distance) C4'-P energy: -40.970
bonds (distance) P-C4' energy: -40.692
flat angles C4'-P-C4' energy: -44.337
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: -36.532
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: 52
Temperature: 1.100000
Total energy: -430.691446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.691446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.691446 (E_RNA)
where:
Base-Base interactions energy: -254.318
where: short stacking energy: -128.363
Base-Backbone interact. energy: -0.416
local terms energy: -175.957791
where:
bonds (distance) C4'-P energy: -34.531
bonds (distance) P-C4' energy: -41.796
flat angles C4'-P-C4' energy: -38.594
flat angles P-C4'-P energy: -23.799
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: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -391.187715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.187715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.187715 (E_RNA)
where:
Base-Base interactions energy: -202.190
where: short stacking energy: -117.778
Base-Backbone interact. energy: -1.218
local terms energy: -187.779754
where:
bonds (distance) C4'-P energy: -44.509
bonds (distance) P-C4' energy: -41.302
flat angles C4'-P-C4' energy: -47.051
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -32.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -304.570082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.570082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.570082 (E_RNA)
where:
Base-Base interactions energy: -158.749
where: short stacking energy: -111.037
Base-Backbone interact. energy: -0.494
local terms energy: -145.327002
where:
bonds (distance) C4'-P energy: -34.707
bonds (distance) P-C4' energy: -38.578
flat angles C4'-P-C4' energy: -34.738
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -208.923457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.923457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.923457 (E_RNA)
where:
Base-Base interactions energy: -68.674
where: short stacking energy: -65.753
Base-Backbone interact. energy: -0.689
local terms energy: -139.560677
where:
bonds (distance) C4'-P energy: -41.944
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -23.466
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -189.249868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.249868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.249868 (E_RNA)
where:
Base-Base interactions energy: -66.466
where: short stacking energy: -55.205
Base-Backbone interact. energy: 1.036
local terms energy: -123.819971
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -28.921
flat angles C4'-P-C4' energy: -33.743
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -2.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -180.046679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.046679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.046679 (E_RNA)
where:
Base-Base interactions energy: -61.675
where: short stacking energy: -57.954
Base-Backbone interact. energy: -0.779
local terms energy: -117.592940
where:
bonds (distance) C4'-P energy: -42.790
bonds (distance) P-C4' energy: -33.283
flat angles C4'-P-C4' energy: -28.994
flat angles P-C4'-P energy: -11.813
tors. eta vs tors. theta energy: -0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -631.023298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.023298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.023298 (E_RNA)
where:
Base-Base interactions energy: -411.987
where: short stacking energy: -197.908
Base-Backbone interact. energy: -0.749
local terms energy: -218.287030
where:
bonds (distance) C4'-P energy: -39.161
bonds (distance) P-C4' energy: -46.616
flat angles C4'-P-C4' energy: -46.345
flat angles P-C4'-P energy: -31.391
tors. eta vs tors. theta energy: -54.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -578.278869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.278869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.278869 (E_RNA)
where:
Base-Base interactions energy: -364.085
where: short stacking energy: -176.211
Base-Backbone interact. energy: 1.071
local terms energy: -215.265027
where:
bonds (distance) C4'-P energy: -36.995
bonds (distance) P-C4' energy: -41.843
flat angles C4'-P-C4' energy: -50.044
flat angles P-C4'-P energy: -30.562
tors. eta vs tors. theta energy: -55.821
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: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -583.839135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.839135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.839135 (E_RNA)
where:
Base-Base interactions energy: -371.099
where: short stacking energy: -180.460
Base-Backbone interact. energy: -0.583
local terms energy: -212.156911
where:
bonds (distance) C4'-P energy: -41.832
bonds (distance) P-C4' energy: -48.028
flat angles C4'-P-C4' energy: -43.978
flat angles P-C4'-P energy: -23.079
tors. eta vs tors. theta energy: -55.240
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: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -532.635397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.635397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.635397 (E_RNA)
where:
Base-Base interactions energy: -369.678
where: short stacking energy: -141.921
Base-Backbone interact. energy: -0.874
local terms energy: -162.082676
where:
bonds (distance) C4'-P energy: -38.370
bonds (distance) P-C4' energy: -34.251
flat angles C4'-P-C4' energy: -40.900
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -32.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -398.741607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.741607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.741607 (E_RNA)
where:
Base-Base interactions energy: -231.486
where: short stacking energy: -113.328
Base-Backbone interact. energy: 2.065
local terms energy: -169.320018
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -39.298
flat angles C4'-P-C4' energy: -43.894
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -28.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -398.763002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.763002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.763002 (E_RNA)
where:
Base-Base interactions energy: -213.778
where: short stacking energy: -126.579
Base-Backbone interact. energy: 2.806
local terms energy: -187.791642
where:
bonds (distance) C4'-P energy: -36.619
bonds (distance) P-C4' energy: -48.780
flat angles C4'-P-C4' energy: -43.951
flat angles P-C4'-P energy: -27.474
tors. eta vs tors. theta energy: -30.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -296.657826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.657826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.657826 (E_RNA)
where:
Base-Base interactions energy: -159.142
where: short stacking energy: -91.783
Base-Backbone interact. energy: -1.135
local terms energy: -136.380899
where:
bonds (distance) C4'-P energy: -44.296
bonds (distance) P-C4' energy: -28.130
flat angles C4'-P-C4' energy: -38.947
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -13.971
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: 2
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -212.519044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.519044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.519044 (E_RNA)
where:
Base-Base interactions energy: -75.713
where: short stacking energy: -60.220
Base-Backbone interact. energy: -0.886
local terms energy: -135.920150
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -40.979
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -20.752
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -202.505656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.505656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.505656 (E_RNA)
where:
Base-Base interactions energy: -67.769
where: short stacking energy: -51.387
Base-Backbone interact. energy: 0.661
local terms energy: -135.397895
where:
bonds (distance) C4'-P energy: -28.604
bonds (distance) P-C4' energy: -44.180
flat angles C4'-P-C4' energy: -37.387
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: 5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -192.721563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.721563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.721563 (E_RNA)
where:
Base-Base interactions energy: -73.476
where: short stacking energy: -54.885
Base-Backbone interact. energy: -1.605
local terms energy: -117.640432
where:
bonds (distance) C4'-P energy: -32.459
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -30.547
flat angles P-C4'-P energy: -18.082
tors. eta vs tors. theta energy: 8.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -651.164333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.164333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.164333 (E_RNA)
where:
Base-Base interactions energy: -424.656
where: short stacking energy: -212.162
Base-Backbone interact. energy: -0.500
local terms energy: -226.007820
where:
bonds (distance) C4'-P energy: -39.767
bonds (distance) P-C4' energy: -46.110
flat angles C4'-P-C4' energy: -50.005
flat angles P-C4'-P energy: -28.729
tors. eta vs tors. theta energy: -61.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -586.770303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.770303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.770303 (E_RNA)
where:
Base-Base interactions energy: -372.016
where: short stacking energy: -184.374
Base-Backbone interact. energy: -0.728
local terms energy: -214.026409
where:
bonds (distance) C4'-P energy: -48.432
bonds (distance) P-C4' energy: -36.849
flat angles C4'-P-C4' energy: -44.125
flat angles P-C4'-P energy: -27.897
tors. eta vs tors. theta energy: -56.725
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: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -565.306249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.306249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.306249 (E_RNA)
where:
Base-Base interactions energy: -356.078
where: short stacking energy: -170.093
Base-Backbone interact. energy: -0.441
local terms energy: -208.787130
where:
bonds (distance) C4'-P energy: -35.887
bonds (distance) P-C4' energy: -40.828
flat angles C4'-P-C4' energy: -47.799
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -50.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -517.972961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.972961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.972961 (E_RNA)
where:
Base-Base interactions energy: -343.244
where: short stacking energy: -141.667
Base-Backbone interact. energy: 1.201
local terms energy: -175.929479
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -39.174
flat angles C4'-P-C4' energy: -38.871
flat angles P-C4'-P energy: -26.542
tors. eta vs tors. theta energy: -29.647
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: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -453.325209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.325209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.325209 (E_RNA)
where:
Base-Base interactions energy: -258.345
where: short stacking energy: -147.549
Base-Backbone interact. energy: -0.666
local terms energy: -194.314546
where:
bonds (distance) C4'-P energy: -43.124
bonds (distance) P-C4' energy: -41.539
flat angles C4'-P-C4' energy: -43.542
flat angles P-C4'-P energy: -30.429
tors. eta vs tors. theta energy: -35.680
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: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -394.179708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.179708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.179708 (E_RNA)
where:
Base-Base interactions energy: -225.553
where: short stacking energy: -111.938
Base-Backbone interact. energy: 0.267
local terms energy: -168.893414
where:
bonds (distance) C4'-P energy: -29.382
bonds (distance) P-C4' energy: -42.183
flat angles C4'-P-C4' energy: -40.501
flat angles P-C4'-P energy: -27.560
tors. eta vs tors. theta energy: -29.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -354.804210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.804210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.804210 (E_RNA)
where:
Base-Base interactions energy: -179.590
where: short stacking energy: -95.004
Base-Backbone interact. energy: 0.133
local terms energy: -175.346912
where:
bonds (distance) C4'-P energy: -38.873
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -38.637
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -23.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -212.233840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.233840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.233840 (E_RNA)
where:
Base-Base interactions energy: -82.119
where: short stacking energy: -69.666
Base-Backbone interact. energy: -0.745
local terms energy: -129.369942
where:
bonds (distance) C4'-P energy: -33.540
bonds (distance) P-C4' energy: -40.782
flat angles C4'-P-C4' energy: -34.064
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -206.033799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.033799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.033799 (E_RNA)
where:
Base-Base interactions energy: -73.385
where: short stacking energy: -53.732
Base-Backbone interact. energy: -0.152
local terms energy: -132.496366
where:
bonds (distance) C4'-P energy: -34.933
bonds (distance) P-C4' energy: -45.118
flat angles C4'-P-C4' energy: -37.793
flat angles P-C4'-P energy: -22.656
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: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -180.902490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.902490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.902490 (E_RNA)
where:
Base-Base interactions energy: -55.858
where: short stacking energy: -40.787
Base-Backbone interact. energy: -0.712
local terms energy: -124.331967
where:
bonds (distance) C4'-P energy: -33.237
bonds (distance) P-C4' energy: -39.730
flat angles C4'-P-C4' energy: -36.442
flat angles P-C4'-P energy: -23.377
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: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -665.831882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.831882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.831882 (E_RNA)
where:
Base-Base interactions energy: -436.110
where: short stacking energy: -223.343
Base-Backbone interact. energy: -0.287
local terms energy: -229.435461
where:
bonds (distance) C4'-P energy: -44.627
bonds (distance) P-C4' energy: -40.897
flat angles C4'-P-C4' energy: -44.617
flat angles P-C4'-P energy: -33.292
tors. eta vs tors. theta energy: -66.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -583.150187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.150187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.150187 (E_RNA)
where:
Base-Base interactions energy: -365.824
where: short stacking energy: -172.803
Base-Backbone interact. energy: -1.023
local terms energy: -216.303367
where:
bonds (distance) C4'-P energy: -45.246
bonds (distance) P-C4' energy: -40.234
flat angles C4'-P-C4' energy: -47.321
flat angles P-C4'-P energy: -28.471
tors. eta vs tors. theta energy: -55.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -556.976385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.976385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.976385 (E_RNA)
where:
Base-Base interactions energy: -367.496
where: short stacking energy: -159.197
Base-Backbone interact. energy: 1.660
local terms energy: -191.140245
where:
bonds (distance) C4'-P energy: -41.175
bonds (distance) P-C4' energy: -35.863
flat angles C4'-P-C4' energy: -43.999
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -45.094
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: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -476.817412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.817412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.817412 (E_RNA)
where:
Base-Base interactions energy: -311.052
where: short stacking energy: -136.660
Base-Backbone interact. energy: 1.457
local terms energy: -167.222792
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -36.777
flat angles C4'-P-C4' energy: -32.687
flat angles P-C4'-P energy: -23.185
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -437.859286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.859286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.859286 (E_RNA)
where:
Base-Base interactions energy: -247.532
where: short stacking energy: -122.915
Base-Backbone interact. energy: -0.130
local terms energy: -190.197366
where:
bonds (distance) C4'-P energy: -43.533
bonds (distance) P-C4' energy: -47.768
flat angles C4'-P-C4' energy: -44.484
flat angles P-C4'-P energy: -15.747
tors. eta vs tors. theta energy: -38.665
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: 6, replica: 1
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -375.265317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.265317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.265317 (E_RNA)
where:
Base-Base interactions energy: -214.789
where: short stacking energy: -107.395
Base-Backbone interact. energy: -0.569
local terms energy: -159.907777
where:
bonds (distance) C4'-P energy: -36.552
bonds (distance) P-C4' energy: -39.323
flat angles C4'-P-C4' energy: -41.216
flat angles P-C4'-P energy: -26.634
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -329.796091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.796091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.796091 (E_RNA)
where:
Base-Base interactions energy: -178.785
where: short stacking energy: -88.961
Base-Backbone interact. energy: 1.814
local terms energy: -152.825020
where:
bonds (distance) C4'-P energy: -40.250
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -35.614
flat angles P-C4'-P energy: -22.584
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -228.230850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.230850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.230850 (E_RNA)
where:
Base-Base interactions energy: -112.074
where: short stacking energy: -84.876
Base-Backbone interact. energy: 0.095
local terms energy: -116.251448
where:
bonds (distance) C4'-P energy: -28.506
bonds (distance) P-C4' energy: -34.676
flat angles C4'-P-C4' energy: -33.759
flat angles P-C4'-P energy: -20.704
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: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -200.103498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.103498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.103498 (E_RNA)
where:
Base-Base interactions energy: -85.977
where: short stacking energy: -68.015
Base-Backbone interact. energy: -0.016
local terms energy: -114.110823
where:
bonds (distance) C4'-P energy: -28.075
bonds (distance) P-C4' energy: -36.479
flat angles C4'-P-C4' energy: -32.820
flat angles P-C4'-P energy: -21.310
tors. eta vs tors. theta energy: 4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -176.766000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.766000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.766000 (E_RNA)
where:
Base-Base interactions energy: -64.469
where: short stacking energy: -58.920
Base-Backbone interact. energy: 0.409
local terms energy: -112.706778
where:
bonds (distance) C4'-P energy: -28.228
bonds (distance) P-C4' energy: -37.637
flat angles C4'-P-C4' energy: -40.889
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: 2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -650.844917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.844917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.844917 (E_RNA)
where:
Base-Base interactions energy: -428.897
where: short stacking energy: -195.806
Base-Backbone interact. energy: -0.073
local terms energy: -221.874343
where:
bonds (distance) C4'-P energy: -42.065
bonds (distance) P-C4' energy: -44.591
flat angles C4'-P-C4' energy: -45.020
flat angles P-C4'-P energy: -26.375
tors. eta vs tors. theta energy: -63.823
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: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -580.147968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.147968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.147968 (E_RNA)
where:
Base-Base interactions energy: -359.580
where: short stacking energy: -176.702
Base-Backbone interact. energy: -0.516
local terms energy: -220.052069
where:
bonds (distance) C4'-P energy: -42.247
bonds (distance) P-C4' energy: -48.546
flat angles C4'-P-C4' energy: -47.065
flat angles P-C4'-P energy: -31.530
tors. eta vs tors. theta energy: -50.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -558.428412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.428412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.428412 (E_RNA)
where:
Base-Base interactions energy: -361.511
where: short stacking energy: -165.665
Base-Backbone interact. energy: -0.240
local terms energy: -196.677047
where:
bonds (distance) C4'-P energy: -39.383
bonds (distance) P-C4' energy: -35.881
flat angles C4'-P-C4' energy: -48.417
flat angles P-C4'-P energy: -25.751
tors. eta vs tors. theta energy: -47.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -483.009689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.009689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.009689 (E_RNA)
where:
Base-Base interactions energy: -312.712
where: short stacking energy: -142.921
Base-Backbone interact. energy: -0.735
local terms energy: -169.563293
where:
bonds (distance) C4'-P energy: -39.870
bonds (distance) P-C4' energy: -42.350
flat angles C4'-P-C4' energy: -32.401
flat angles P-C4'-P energy: -28.605
tors. eta vs tors. theta energy: -26.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -425.625658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.625658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.625658 (E_RNA)
where:
Base-Base interactions energy: -259.654
where: short stacking energy: -115.667
Base-Backbone interact. energy: -0.305
local terms energy: -165.666533
where:
bonds (distance) C4'-P energy: -32.876
bonds (distance) P-C4' energy: -46.835
flat angles C4'-P-C4' energy: -38.305
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -23.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -407.737927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.737927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.737927 (E_RNA)
where:
Base-Base interactions energy: -235.608
where: short stacking energy: -123.922
Base-Backbone interact. energy: -1.362
local terms energy: -170.767979
where:
bonds (distance) C4'-P energy: -43.028
bonds (distance) P-C4' energy: -37.490
flat angles C4'-P-C4' energy: -35.689
flat angles P-C4'-P energy: -18.303
tors. eta vs tors. theta energy: -36.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -342.955017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.955017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.955017 (E_RNA)
where:
Base-Base interactions energy: -181.911
where: short stacking energy: -90.135
Base-Backbone interact. energy: -0.823
local terms energy: -160.221218
where:
bonds (distance) C4'-P energy: -44.606
bonds (distance) P-C4' energy: -47.587
flat angles C4'-P-C4' energy: -38.216
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -262.869877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.869877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.869877 (E_RNA)
where:
Base-Base interactions energy: -109.486
where: short stacking energy: -54.709
Base-Backbone interact. energy: -1.243
local terms energy: -152.140605
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -47.528
flat angles C4'-P-C4' energy: -37.967
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: -3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -189.403497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.403497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.403497 (E_RNA)
where:
Base-Base interactions energy: -56.765
where: short stacking energy: -50.549
Base-Backbone interact. energy: -0.568
local terms energy: -132.070457
where:
bonds (distance) C4'-P energy: -38.294
bonds (distance) P-C4' energy: -38.895
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -25.740
tors. eta vs tors. theta energy: -0.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -190.709514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.709514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.709514 (E_RNA)
where:
Base-Base interactions energy: -69.357
where: short stacking energy: -66.587
Base-Backbone interact. energy: -2.171
local terms energy: -119.181921
where:
bonds (distance) C4'-P energy: -32.883
bonds (distance) P-C4' energy: -31.776
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -2.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -665.708245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.708245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.708245 (E_RNA)
where:
Base-Base interactions energy: -433.687
where: short stacking energy: -210.990
Base-Backbone interact. energy: -0.410
local terms energy: -231.611335
where:
bonds (distance) C4'-P energy: -40.739
bonds (distance) P-C4' energy: -50.693
flat angles C4'-P-C4' energy: -49.863
flat angles P-C4'-P energy: -30.753
tors. eta vs tors. theta energy: -59.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -567.900664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.900664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.900664 (E_RNA)
where:
Base-Base interactions energy: -358.484
where: short stacking energy: -180.009
Base-Backbone interact. energy: -1.657
local terms energy: -207.759567
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -41.281
flat angles C4'-P-C4' energy: -47.669
flat angles P-C4'-P energy: -29.200
tors. eta vs tors. theta energy: -50.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -561.109185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.109185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.109185 (E_RNA)
where:
Base-Base interactions energy: -367.739
where: short stacking energy: -174.213
Base-Backbone interact. energy: -0.756
local terms energy: -192.614359
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -38.493
flat angles C4'-P-C4' energy: -42.570
flat angles P-C4'-P energy: -27.027
tors. eta vs tors. theta energy: -47.438
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: 4, replica: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -442.699201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.699201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.699201 (E_RNA)
where:
Base-Base interactions energy: -271.300
where: short stacking energy: -143.643
Base-Backbone interact. energy: 0.871
local terms energy: -172.270774
where:
bonds (distance) C4'-P energy: -35.372
bonds (distance) P-C4' energy: -43.032
flat angles C4'-P-C4' energy: -40.665
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -31.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -476.285199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.285199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.285199 (E_RNA)
where:
Base-Base interactions energy: -309.008
where: short stacking energy: -149.440
Base-Backbone interact. energy: -1.140
local terms energy: -166.137367
where:
bonds (distance) C4'-P energy: -37.953
bonds (distance) P-C4' energy: -35.694
flat angles C4'-P-C4' energy: -33.792
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -38.670
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: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -424.211351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.211351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.211351 (E_RNA)
where:
Base-Base interactions energy: -225.314
where: short stacking energy: -143.984
Base-Backbone interact. energy: -1.389
local terms energy: -197.508144
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -43.560
flat angles P-C4'-P energy: -38.029
tors. eta vs tors. theta energy: -42.402
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: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -306.030091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.030091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.030091 (E_RNA)
where:
Base-Base interactions energy: -141.148
where: short stacking energy: -83.445
Base-Backbone interact. energy: -0.513
local terms energy: -164.368874
where:
bonds (distance) C4'-P energy: -39.422
bonds (distance) P-C4' energy: -37.858
flat angles C4'-P-C4' energy: -41.158
flat angles P-C4'-P energy: -27.556
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -259.745122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.745122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.745122 (E_RNA)
where:
Base-Base interactions energy: -123.633
where: short stacking energy: -78.020
Base-Backbone interact. energy: -0.402
local terms energy: -135.710652
where:
bonds (distance) C4'-P energy: -44.024
bonds (distance) P-C4' energy: -37.477
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -20.661
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: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -213.685773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.685773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.685773 (E_RNA)
where:
Base-Base interactions energy: -90.423
where: short stacking energy: -58.388
Base-Backbone interact. energy: -0.562
local terms energy: -122.700408
where:
bonds (distance) C4'-P energy: -36.228
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -38.162
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: 0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -178.237107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.237107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.237107 (E_RNA)
where:
Base-Base interactions energy: -53.570
where: short stacking energy: -53.570
Base-Backbone interact. energy: 0.496
local terms energy: -125.162576
where:
bonds (distance) C4'-P energy: -38.937
bonds (distance) P-C4' energy: -34.982
flat angles C4'-P-C4' energy: -26.797
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: 0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -659.648444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.648444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.648444 (E_RNA)
where:
Base-Base interactions energy: -426.810
where: short stacking energy: -211.444
Base-Backbone interact. energy: -0.053
local terms energy: -232.785678
where:
bonds (distance) C4'-P energy: -41.264
bonds (distance) P-C4' energy: -41.494
flat angles C4'-P-C4' energy: -47.958
flat angles P-C4'-P energy: -37.458
tors. eta vs tors. theta energy: -64.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -556.230123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.230123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.230123 (E_RNA)
where:
Base-Base interactions energy: -351.559
where: short stacking energy: -181.420
Base-Backbone interact. energy: -0.026
local terms energy: -204.645272
where:
bonds (distance) C4'-P energy: -41.073
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -43.336
flat angles P-C4'-P energy: -36.522
tors. eta vs tors. theta energy: -47.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -583.935208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.935208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.935208 (E_RNA)
where:
Base-Base interactions energy: -389.577
where: short stacking energy: -192.878
Base-Backbone interact. energy: -0.496
local terms energy: -193.862428
where:
bonds (distance) C4'-P energy: -39.587
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -39.866
flat angles P-C4'-P energy: -27.737
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: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -461.520077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.520077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.520077 (E_RNA)
where:
Base-Base interactions energy: -284.819
where: short stacking energy: -147.346
Base-Backbone interact. energy: -0.842
local terms energy: -175.859646
where:
bonds (distance) C4'-P energy: -42.851
bonds (distance) P-C4' energy: -36.543
flat angles C4'-P-C4' energy: -39.186
flat angles P-C4'-P energy: -23.393
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: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -422.573753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.573753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.573753 (E_RNA)
where:
Base-Base interactions energy: -242.799
where: short stacking energy: -132.464
Base-Backbone interact. energy: -0.031
local terms energy: -179.744064
where:
bonds (distance) C4'-P energy: -38.252
bonds (distance) P-C4' energy: -49.026
flat angles C4'-P-C4' energy: -43.950
flat angles P-C4'-P energy: -18.676
tors. eta vs tors. theta energy: -29.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -439.109382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.109382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.109382 (E_RNA)
where:
Base-Base interactions energy: -284.569
where: short stacking energy: -109.751
Base-Backbone interact. energy: -0.769
local terms energy: -153.772006
where:
bonds (distance) C4'-P energy: -37.310
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -33.797
flat angles P-C4'-P energy: -19.874
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -326.506886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.506886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.506886 (E_RNA)
where:
Base-Base interactions energy: -173.685
where: short stacking energy: -104.832
Base-Backbone interact. energy: 0.045
local terms energy: -152.866789
where:
bonds (distance) C4'-P energy: -37.417
bonds (distance) P-C4' energy: -32.806
flat angles C4'-P-C4' energy: -32.338
flat angles P-C4'-P energy: -24.874
tors. eta vs tors. theta energy: -25.431
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: 58
Temperature: 1.250000
Total energy: -287.085118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.085118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.085118 (E_RNA)
where:
Base-Base interactions energy: -138.916
where: short stacking energy: -66.222
Base-Backbone interact. energy: -0.896
local terms energy: -147.273744
where:
bonds (distance) C4'-P energy: -32.485
bonds (distance) P-C4' energy: -39.899
flat angles C4'-P-C4' energy: -44.737
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -192.540036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.540036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.540036 (E_RNA)
where:
Base-Base interactions energy: -66.609
where: short stacking energy: -54.062
Base-Backbone interact. energy: -1.115
local terms energy: -124.816013
where:
bonds (distance) C4'-P energy: -37.830
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -33.714
flat angles P-C4'-P energy: -19.799
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: 2
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -189.508852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.508852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.508852 (E_RNA)
where:
Base-Base interactions energy: -58.622
where: short stacking energy: -49.334
Base-Backbone interact. energy: 4.445
local terms energy: -135.331763
where:
bonds (distance) C4'-P energy: -40.530
bonds (distance) P-C4' energy: -43.594
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -649.459157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.459157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.459157 (E_RNA)
where:
Base-Base interactions energy: -428.490
where: short stacking energy: -209.183
Base-Backbone interact. energy: -0.183
local terms energy: -220.786702
where:
bonds (distance) C4'-P energy: -41.075
bonds (distance) P-C4' energy: -38.970
flat angles C4'-P-C4' energy: -50.735
flat angles P-C4'-P energy: -28.564
tors. eta vs tors. theta energy: -61.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -553.390167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.390167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.390167 (E_RNA)
where:
Base-Base interactions energy: -351.234
where: short stacking energy: -161.348
Base-Backbone interact. energy: 0.364
local terms energy: -202.520699
where:
bonds (distance) C4'-P energy: -35.882
bonds (distance) P-C4' energy: -43.125
flat angles C4'-P-C4' energy: -45.043
flat angles P-C4'-P energy: -32.638
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: 3, replica: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -542.131748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.131748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.131748 (E_RNA)
where:
Base-Base interactions energy: -335.079
where: short stacking energy: -151.408
Base-Backbone interact. energy: -0.383
local terms energy: -206.669693
where:
bonds (distance) C4'-P energy: -38.913
bonds (distance) P-C4' energy: -51.608
flat angles C4'-P-C4' energy: -41.469
flat angles P-C4'-P energy: -29.483
tors. eta vs tors. theta energy: -45.197
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: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -480.793160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.793160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.793160 (E_RNA)
where:
Base-Base interactions energy: -288.658
where: short stacking energy: -141.956
Base-Backbone interact. energy: -0.563
local terms energy: -191.572603
where:
bonds (distance) C4'-P energy: -38.151
bonds (distance) P-C4' energy: -44.767
flat angles C4'-P-C4' energy: -42.299
flat angles P-C4'-P energy: -32.001
tors. eta vs tors. theta energy: -34.355
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: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -411.506064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.506064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.506064 (E_RNA)
where:
Base-Base interactions energy: -225.497
where: short stacking energy: -112.943
Base-Backbone interact. energy: -0.157
local terms energy: -185.852267
where:
bonds (distance) C4'-P energy: -42.594
bonds (distance) P-C4' energy: -46.471
flat angles C4'-P-C4' energy: -41.004
flat angles P-C4'-P energy: -28.223
tors. eta vs tors. theta energy: -27.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -410.052278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.052278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.052278 (E_RNA)
where:
Base-Base interactions energy: -273.572
where: short stacking energy: -110.151
Base-Backbone interact. energy: -1.171
local terms energy: -135.309256
where:
bonds (distance) C4'-P energy: -40.457
bonds (distance) P-C4' energy: -34.707
flat angles C4'-P-C4' energy: -30.979
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -16.451
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: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -329.298930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.298930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.298930 (E_RNA)
where:
Base-Base interactions energy: -177.414
where: short stacking energy: -102.401
Base-Backbone interact. energy: -1.001
local terms energy: -150.883855
where:
bonds (distance) C4'-P energy: -32.463
bonds (distance) P-C4' energy: -40.530
flat angles C4'-P-C4' energy: -35.659
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -14.032
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: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -301.077342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.077342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.077342 (E_RNA)
where:
Base-Base interactions energy: -159.201
where: short stacking energy: -104.556
Base-Backbone interact. energy: -0.711
local terms energy: -141.165304
where:
bonds (distance) C4'-P energy: -31.376
bonds (distance) P-C4' energy: -36.345
flat angles C4'-P-C4' energy: -34.577
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -198.649180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.649180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.649180 (E_RNA)
where:
Base-Base interactions energy: -53.060
where: short stacking energy: -51.269
Base-Backbone interact. energy: 0.021
local terms energy: -145.610411
where:
bonds (distance) C4'-P energy: -44.655
bonds (distance) P-C4' energy: -39.981
flat angles C4'-P-C4' energy: -31.505
flat angles P-C4'-P energy: -20.496
tors. eta vs tors. theta energy: -8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -198.051135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.051135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.051135 (E_RNA)
where:
Base-Base interactions energy: -79.922
where: short stacking energy: -59.810
Base-Backbone interact. energy: 1.804
local terms energy: -119.933461
where:
bonds (distance) C4'-P energy: -32.480
bonds (distance) P-C4' energy: -40.196
flat angles C4'-P-C4' energy: -35.663
flat angles P-C4'-P energy: -14.544
tors. eta vs tors. theta energy: 2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -652.632825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.632825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.632825 (E_RNA)
where:
Base-Base interactions energy: -424.212
where: short stacking energy: -204.067
Base-Backbone interact. energy: 1.667
local terms energy: -230.087932
where:
bonds (distance) C4'-P energy: -32.444
bonds (distance) P-C4' energy: -51.936
flat angles C4'-P-C4' energy: -48.787
flat angles P-C4'-P energy: -39.196
tors. eta vs tors. theta energy: -57.726
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: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -577.061735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.061735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.061735 (E_RNA)
where:
Base-Base interactions energy: -350.859
where: short stacking energy: -174.371
Base-Backbone interact. energy: -0.250
local terms energy: -225.952558
where:
bonds (distance) C4'-P energy: -48.654
bonds (distance) P-C4' energy: -42.958
flat angles C4'-P-C4' energy: -47.568
flat angles P-C4'-P energy: -37.645
tors. eta vs tors. theta energy: -49.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -548.541141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.541141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.541141 (E_RNA)
where:
Base-Base interactions energy: -349.791
where: short stacking energy: -172.315
Base-Backbone interact. energy: -1.075
local terms energy: -197.674394
where:
bonds (distance) C4'-P energy: -36.756
bonds (distance) P-C4' energy: -41.709
flat angles C4'-P-C4' energy: -43.767
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -45.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -497.178400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.178400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.178400 (E_RNA)
where:
Base-Base interactions energy: -308.859
where: short stacking energy: -151.264
Base-Backbone interact. energy: 2.331
local terms energy: -190.650620
where:
bonds (distance) C4'-P energy: -41.817
bonds (distance) P-C4' energy: -39.265
flat angles C4'-P-C4' energy: -42.456
flat angles P-C4'-P energy: -26.556
tors. eta vs tors. theta energy: -40.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -458.917902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.917902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.917902 (E_RNA)
where:
Base-Base interactions energy: -272.909
where: short stacking energy: -142.469
Base-Backbone interact. energy: -0.008
local terms energy: -186.001170
where:
bonds (distance) C4'-P energy: -44.989
bonds (distance) P-C4' energy: -34.710
flat angles C4'-P-C4' energy: -45.201
flat angles P-C4'-P energy: -23.539
tors. eta vs tors. theta energy: -37.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -390.296602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.296602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.296602 (E_RNA)
where:
Base-Base interactions energy: -233.228
where: short stacking energy: -123.510
Base-Backbone interact. energy: 1.123
local terms energy: -158.191704
where:
bonds (distance) C4'-P energy: -42.876
bonds (distance) P-C4' energy: -28.223
flat angles C4'-P-C4' energy: -35.203
flat angles P-C4'-P energy: -23.208
tors. eta vs tors. theta energy: -28.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -348.730190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.730190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.730190 (E_RNA)
where:
Base-Base interactions energy: -188.203
where: short stacking energy: -101.645
Base-Backbone interact. energy: -1.960
local terms energy: -158.567315
where:
bonds (distance) C4'-P energy: -40.781
bonds (distance) P-C4' energy: -35.140
flat angles C4'-P-C4' energy: -37.935
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -281.723910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.723910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.723910 (E_RNA)
where:
Base-Base interactions energy: -149.517
where: short stacking energy: -90.674
Base-Backbone interact. energy: 0.083
local terms energy: -132.289733
where:
bonds (distance) C4'-P energy: -32.993
bonds (distance) P-C4' energy: -31.872
flat angles C4'-P-C4' energy: -33.650
flat angles P-C4'-P energy: -18.654
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -193.545346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.545346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.545346 (E_RNA)
where:
Base-Base interactions energy: -80.904
where: short stacking energy: -59.405
Base-Backbone interact. energy: 2.699
local terms energy: -115.339535
where:
bonds (distance) C4'-P energy: -40.701
bonds (distance) P-C4' energy: -27.022
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -23.624
tors. eta vs tors. theta energy: 8.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -174.780182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.780182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.780182 (E_RNA)
where:
Base-Base interactions energy: -60.347
where: short stacking energy: -53.120
Base-Backbone interact. energy: -1.405
local terms energy: -113.028262
where:
bonds (distance) C4'-P energy: -32.285
bonds (distance) P-C4' energy: -44.453
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -7.670
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: 1, replica: 5
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -646.903012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.903012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.903012 (E_RNA)
where:
Base-Base interactions energy: -413.179
where: short stacking energy: -198.038
Base-Backbone interact. energy: -1.155
local terms energy: -232.568745
where:
bonds (distance) C4'-P energy: -43.997
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -49.491
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -62.124
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: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -597.770097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.770097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.770097 (E_RNA)
where:
Base-Base interactions energy: -381.536
where: short stacking energy: -186.794
Base-Backbone interact. energy: -0.205
local terms energy: -216.028980
where:
bonds (distance) C4'-P energy: -37.818
bonds (distance) P-C4' energy: -50.569
flat angles C4'-P-C4' energy: -45.261
flat angles P-C4'-P energy: -31.728
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: 61
Temperature: 1.000000
Total energy: -546.448232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.448232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.448232 (E_RNA)
where:
Base-Base interactions energy: -335.855
where: short stacking energy: -166.315
Base-Backbone interact. energy: -0.353
local terms energy: -210.239991
where:
bonds (distance) C4'-P energy: -45.631
bonds (distance) P-C4' energy: -46.415
flat angles C4'-P-C4' energy: -39.838
flat angles P-C4'-P energy: -29.925
tors. eta vs tors. theta energy: -48.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -512.456528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.456528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.456528 (E_RNA)
where:
Base-Base interactions energy: -315.925
where: short stacking energy: -164.021
Base-Backbone interact. energy: 1.482
local terms energy: -198.014005
where:
bonds (distance) C4'-P energy: -37.865
bonds (distance) P-C4' energy: -38.721
flat angles C4'-P-C4' energy: -37.035
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -50.220
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: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -462.964670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.964670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.964670 (E_RNA)
where:
Base-Base interactions energy: -272.770
where: short stacking energy: -140.220
Base-Backbone interact. energy: -0.040
local terms energy: -190.155355
where:
bonds (distance) C4'-P energy: -37.223
bonds (distance) P-C4' energy: -45.177
flat angles C4'-P-C4' energy: -48.082
flat angles P-C4'-P energy: -28.480
tors. eta vs tors. theta energy: -31.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -369.964180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.964180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.964180 (E_RNA)
where:
Base-Base interactions energy: -213.644
where: short stacking energy: -108.768
Base-Backbone interact. energy: -0.033
local terms energy: -156.286901
where:
bonds (distance) C4'-P energy: -31.734
bonds (distance) P-C4' energy: -37.631
flat angles C4'-P-C4' energy: -42.653
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -20.636
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: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -304.674375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.674375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.674375 (E_RNA)
where:
Base-Base interactions energy: -161.956
where: short stacking energy: -95.681
Base-Backbone interact. energy: -0.495
local terms energy: -142.223819
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -29.815
flat angles C4'-P-C4' energy: -28.941
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: -18.643
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: 61
Temperature: 1.250000
Total energy: -295.157263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.157263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.157263 (E_RNA)
where:
Base-Base interactions energy: -148.012
where: short stacking energy: -83.197
Base-Backbone interact. energy: -2.307
local terms energy: -144.837461
where:
bonds (distance) C4'-P energy: -33.949
bonds (distance) P-C4' energy: -39.887
flat angles C4'-P-C4' energy: -35.068
flat angles P-C4'-P energy: -24.779
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -192.849278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.849278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.849278 (E_RNA)
where:
Base-Base interactions energy: -64.297
where: short stacking energy: -52.152
Base-Backbone interact. energy: 2.730
local terms energy: -131.282694
where:
bonds (distance) C4'-P energy: -37.811
bonds (distance) P-C4' energy: -43.412
flat angles C4'-P-C4' energy: -35.234
flat angles P-C4'-P energy: -21.954
tors. eta vs tors. theta energy: 7.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -170.613548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.613548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.613548 (E_RNA)
where:
Base-Base interactions energy: -52.512
where: short stacking energy: -42.753
Base-Backbone interact. energy: -0.345
local terms energy: -117.756488
where:
bonds (distance) C4'-P energy: -38.003
bonds (distance) P-C4' energy: -30.660
flat angles C4'-P-C4' energy: -34.284
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: 7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -633.758036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.758036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.758036 (E_RNA)
where:
Base-Base interactions energy: -402.075
where: short stacking energy: -197.140
Base-Backbone interact. energy: -0.583
local terms energy: -231.100266
where:
bonds (distance) C4'-P energy: -44.535
bonds (distance) P-C4' energy: -48.092
flat angles C4'-P-C4' energy: -51.260
flat angles P-C4'-P energy: -31.334
tors. eta vs tors. theta energy: -55.879
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: 62
Temperature: 0.950000
Total energy: -584.145022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.145022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.145022 (E_RNA)
where:
Base-Base interactions energy: -364.627
where: short stacking energy: -187.716
Base-Backbone interact. energy: -0.400
local terms energy: -219.118408
where:
bonds (distance) C4'-P energy: -47.623
bonds (distance) P-C4' energy: -44.594
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -34.860
tors. eta vs tors. theta energy: -53.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -559.912644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.912644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.912644 (E_RNA)
where:
Base-Base interactions energy: -356.918
where: short stacking energy: -178.092
Base-Backbone interact. energy: -0.693
local terms energy: -202.301336
where:
bonds (distance) C4'-P energy: -40.829
bonds (distance) P-C4' energy: -43.791
flat angles C4'-P-C4' energy: -44.830
flat angles P-C4'-P energy: -25.709
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: 4, replica: 9
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -526.305394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.305394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.305394 (E_RNA)
where:
Base-Base interactions energy: -337.284
where: short stacking energy: -166.042
Base-Backbone interact. energy: 1.130
local terms energy: -190.151004
where:
bonds (distance) C4'-P energy: -33.668
bonds (distance) P-C4' energy: -40.587
flat angles C4'-P-C4' energy: -48.204
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -46.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -467.793102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.793102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.793102 (E_RNA)
where:
Base-Base interactions energy: -291.280
where: short stacking energy: -130.235
Base-Backbone interact. energy: -0.277
local terms energy: -176.236089
where:
bonds (distance) C4'-P energy: -37.403
bonds (distance) P-C4' energy: -37.633
flat angles C4'-P-C4' energy: -38.673
flat angles P-C4'-P energy: -32.612
tors. eta vs tors. theta energy: -29.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -375.301369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.301369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.301369 (E_RNA)
where:
Base-Base interactions energy: -205.187
where: short stacking energy: -115.043
Base-Backbone interact. energy: -0.766
local terms energy: -169.348349
where:
bonds (distance) C4'-P energy: -37.629
bonds (distance) P-C4' energy: -39.182
flat angles C4'-P-C4' energy: -37.584
flat angles P-C4'-P energy: -27.619
tors. eta vs tors. theta energy: -27.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -330.431165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.431165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.431165 (E_RNA)
where:
Base-Base interactions energy: -173.185
where: short stacking energy: -97.368
Base-Backbone interact. energy: -0.342
local terms energy: -156.904501
where:
bonds (distance) C4'-P energy: -42.875
bonds (distance) P-C4' energy: -40.398
flat angles C4'-P-C4' energy: -39.953
flat angles P-C4'-P energy: -27.203
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -274.280382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.280382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.280382 (E_RNA)
where:
Base-Base interactions energy: -134.963
where: short stacking energy: -77.831
Base-Backbone interact. energy: -0.414
local terms energy: -138.903454
where:
bonds (distance) C4'-P energy: -41.159
bonds (distance) P-C4' energy: -34.056
flat angles C4'-P-C4' energy: -39.330
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -193.072082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.072082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.072082 (E_RNA)
where:
Base-Base interactions energy: -69.061
where: short stacking energy: -60.536
Base-Backbone interact. energy: -0.320
local terms energy: -123.691157
where:
bonds (distance) C4'-P energy: -36.126
bonds (distance) P-C4' energy: -35.489
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -2.197
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: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -170.743009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.743009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.743009 (E_RNA)
where:
Base-Base interactions energy: -61.069
where: short stacking energy: -43.986
Base-Backbone interact. energy: -1.500
local terms energy: -108.174225
where:
bonds (distance) C4'-P energy: -38.906
bonds (distance) P-C4' energy: -33.740
flat angles C4'-P-C4' energy: -30.762
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: 4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -653.592843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.592843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.592843 (E_RNA)
where:
Base-Base interactions energy: -424.489
where: short stacking energy: -211.533
Base-Backbone interact. energy: -0.085
local terms energy: -229.018331
where:
bonds (distance) C4'-P energy: -41.010
bonds (distance) P-C4' energy: -46.748
flat angles C4'-P-C4' energy: -44.471
flat angles P-C4'-P energy: -32.477
tors. eta vs tors. theta energy: -64.313
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: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -588.464963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.464963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.464963 (E_RNA)
where:
Base-Base interactions energy: -370.828
where: short stacking energy: -172.628
Base-Backbone interact. energy: -0.820
local terms energy: -216.817264
where:
bonds (distance) C4'-P energy: -38.151
bonds (distance) P-C4' energy: -48.089
flat angles C4'-P-C4' energy: -46.882
flat angles P-C4'-P energy: -29.435
tors. eta vs tors. theta energy: -54.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -597.072778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.072778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.072778 (E_RNA)
where:
Base-Base interactions energy: -392.499
where: short stacking energy: -187.080
Base-Backbone interact. energy: -1.481
local terms energy: -203.092870
where:
bonds (distance) C4'-P energy: -31.272
bonds (distance) P-C4' energy: -36.206
flat angles C4'-P-C4' energy: -47.967
flat angles P-C4'-P energy: -36.196
tors. eta vs tors. theta energy: -51.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -520.836406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.836406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.836406 (E_RNA)
where:
Base-Base interactions energy: -324.565
where: short stacking energy: -142.677
Base-Backbone interact. energy: 2.895
local terms energy: -199.166054
where:
bonds (distance) C4'-P energy: -37.353
bonds (distance) P-C4' energy: -45.151
flat angles C4'-P-C4' energy: -45.114
flat angles P-C4'-P energy: -32.569
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: 5, replica: 9
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -471.452716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.452716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.452716 (E_RNA)
where:
Base-Base interactions energy: -284.340
where: short stacking energy: -141.278
Base-Backbone interact. energy: -0.372
local terms energy: -186.741197
where:
bonds (distance) C4'-P energy: -38.733
bonds (distance) P-C4' energy: -32.612
flat angles C4'-P-C4' energy: -46.408
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -44.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -330.147936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.147936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.147936 (E_RNA)
where:
Base-Base interactions energy: -175.643
where: short stacking energy: -85.722
Base-Backbone interact. energy: 1.201
local terms energy: -155.706022
where:
bonds (distance) C4'-P energy: -45.281
bonds (distance) P-C4' energy: -31.833
flat angles C4'-P-C4' energy: -39.012
flat angles P-C4'-P energy: -27.893
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -313.215981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.215981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.215981 (E_RNA)
where:
Base-Base interactions energy: -163.290
where: short stacking energy: -79.661
Base-Backbone interact. energy: -1.368
local terms energy: -148.558018
where:
bonds (distance) C4'-P energy: -40.112
bonds (distance) P-C4' energy: -42.259
flat angles C4'-P-C4' energy: -36.865
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -317.862965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.862965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.862965 (E_RNA)
where:
Base-Base interactions energy: -166.089
where: short stacking energy: -90.058
Base-Backbone interact. energy: -0.242
local terms energy: -151.531311
where:
bonds (distance) C4'-P energy: -40.084
bonds (distance) P-C4' energy: -42.907
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -20.281
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -190.223957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.223957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.223957 (E_RNA)
where:
Base-Base interactions energy: -66.626
where: short stacking energy: -64.950
Base-Backbone interact. energy: -0.479
local terms energy: -123.118807
where:
bonds (distance) C4'-P energy: -29.456
bonds (distance) P-C4' energy: -33.949
flat angles C4'-P-C4' energy: -35.541
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -180.304103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.304103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.304103 (E_RNA)
where:
Base-Base interactions energy: -59.911
where: short stacking energy: -48.357
Base-Backbone interact. energy: 0.020
local terms energy: -120.413377
where:
bonds (distance) C4'-P energy: -39.714
bonds (distance) P-C4' energy: -32.846
flat angles C4'-P-C4' energy: -33.052
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: 2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -647.609018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.609018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.609018 (E_RNA)
where:
Base-Base interactions energy: -415.947
where: short stacking energy: -205.119
Base-Backbone interact. energy: -0.631
local terms energy: -231.030646
where:
bonds (distance) C4'-P energy: -43.894
bonds (distance) P-C4' energy: -42.123
flat angles C4'-P-C4' energy: -44.564
flat angles P-C4'-P energy: -39.547
tors. eta vs tors. theta energy: -60.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -595.243881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.243881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.243881 (E_RNA)
where:
Base-Base interactions energy: -388.272
where: short stacking energy: -182.586
Base-Backbone interact. energy: 0.810
local terms energy: -207.782322
where:
bonds (distance) C4'-P energy: -42.564
bonds (distance) P-C4' energy: -52.126
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -27.519
tors. eta vs tors. theta energy: -48.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -565.145315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.145315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.145315 (E_RNA)
where:
Base-Base interactions energy: -354.345
where: short stacking energy: -173.365
Base-Backbone interact. energy: -0.845
local terms energy: -209.954735
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -43.633
flat angles C4'-P-C4' energy: -44.779
flat angles P-C4'-P energy: -28.553
tors. eta vs tors. theta energy: -53.326
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: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -501.880516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.880516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.880516 (E_RNA)
where:
Base-Base interactions energy: -313.260
where: short stacking energy: -148.541
Base-Backbone interact. energy: -1.381
local terms energy: -187.239795
where:
bonds (distance) C4'-P energy: -43.359
bonds (distance) P-C4' energy: -39.529
flat angles C4'-P-C4' energy: -40.547
flat angles P-C4'-P energy: -25.551
tors. eta vs tors. theta energy: -38.254
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: 9
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -444.512455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.512455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.512455 (E_RNA)
where:
Base-Base interactions energy: -262.139
where: short stacking energy: -138.482
Base-Backbone interact. energy: 0.434
local terms energy: -182.808098
where:
bonds (distance) C4'-P energy: -35.804
bonds (distance) P-C4' energy: -42.415
flat angles C4'-P-C4' energy: -48.305
flat angles P-C4'-P energy: -22.383
tors. eta vs tors. theta energy: -33.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -326.215397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.215397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.215397 (E_RNA)
where:
Base-Base interactions energy: -153.086
where: short stacking energy: -95.492
Base-Backbone interact. energy: -0.338
local terms energy: -172.791511
where:
bonds (distance) C4'-P energy: -34.926
bonds (distance) P-C4' energy: -45.057
flat angles C4'-P-C4' energy: -46.420
flat angles P-C4'-P energy: -30.659
tors. eta vs tors. theta energy: -15.730
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: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -274.211996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.211996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.211996 (E_RNA)
where:
Base-Base interactions energy: -122.605
where: short stacking energy: -82.012
Base-Backbone interact. energy: -1.907
local terms energy: -149.700545
where:
bonds (distance) C4'-P energy: -38.052
bonds (distance) P-C4' energy: -42.081
flat angles C4'-P-C4' energy: -36.820
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -309.099611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.099611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.099611 (E_RNA)
where:
Base-Base interactions energy: -167.348
where: short stacking energy: -96.650
Base-Backbone interact. energy: -1.238
local terms energy: -140.513282
where:
bonds (distance) C4'-P energy: -31.452
bonds (distance) P-C4' energy: -44.632
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -194.932314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.932314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.932314 (E_RNA)
where:
Base-Base interactions energy: -74.493
where: short stacking energy: -41.125
Base-Backbone interact. energy: -1.912
local terms energy: -118.527196
where:
bonds (distance) C4'-P energy: -39.563
bonds (distance) P-C4' energy: -35.728
flat angles C4'-P-C4' energy: -38.123
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: 5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -191.082914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.082914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.082914 (E_RNA)
where:
Base-Base interactions energy: -49.548
where: short stacking energy: -46.445
Base-Backbone interact. energy: -1.165
local terms energy: -140.369986
where:
bonds (distance) C4'-P energy: -33.432
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -25.206
tors. eta vs tors. theta energy: -1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -644.854074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.854074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.854074 (E_RNA)
where:
Base-Base interactions energy: -417.362
where: short stacking energy: -200.127
Base-Backbone interact. energy: -0.352
local terms energy: -227.140247
where:
bonds (distance) C4'-P energy: -46.025
bonds (distance) P-C4' energy: -46.477
flat angles C4'-P-C4' energy: -42.382
flat angles P-C4'-P energy: -32.697
tors. eta vs tors. theta energy: -59.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -589.576279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.576279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.576279 (E_RNA)
where:
Base-Base interactions energy: -378.434
where: short stacking energy: -168.905
Base-Backbone interact. energy: -0.370
local terms energy: -210.772113
where:
bonds (distance) C4'-P energy: -38.100
bonds (distance) P-C4' energy: -49.771
flat angles C4'-P-C4' energy: -40.659
flat angles P-C4'-P energy: -34.487
tors. eta vs tors. theta energy: -47.755
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: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -564.211666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.211666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.211666 (E_RNA)
where:
Base-Base interactions energy: -360.640
where: short stacking energy: -167.863
Base-Backbone interact. energy: -0.972
local terms energy: -202.599893
where:
bonds (distance) C4'-P energy: -38.962
bonds (distance) P-C4' energy: -41.413
flat angles C4'-P-C4' energy: -47.652
flat angles P-C4'-P energy: -32.773
tors. eta vs tors. theta energy: -41.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -470.675437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.675437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.675437 (E_RNA)
where:
Base-Base interactions energy: -290.063
where: short stacking energy: -160.714
Base-Backbone interact. energy: -0.865
local terms energy: -179.747288
where:
bonds (distance) C4'-P energy: -40.769
bonds (distance) P-C4' energy: -43.079
flat angles C4'-P-C4' energy: -31.054
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: -37.732
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: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -444.664955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.664955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.664955 (E_RNA)
where:
Base-Base interactions energy: -277.448
where: short stacking energy: -145.796
Base-Backbone interact. energy: -0.034
local terms energy: -167.182177
where:
bonds (distance) C4'-P energy: -38.484
bonds (distance) P-C4' energy: -33.761
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -35.396
tors. eta vs tors. theta energy: -29.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -346.950529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.950529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.950529 (E_RNA)
where:
Base-Base interactions energy: -188.389
where: short stacking energy: -107.006
Base-Backbone interact. energy: -0.383
local terms energy: -158.178505
where:
bonds (distance) C4'-P energy: -37.253
bonds (distance) P-C4' energy: -34.838
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -29.435
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: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -297.622616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.622616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.622616 (E_RNA)
where:
Base-Base interactions energy: -165.664
where: short stacking energy: -98.311
Base-Backbone interact. energy: 6.178
local terms energy: -138.136679
where:
bonds (distance) C4'-P energy: -29.991
bonds (distance) P-C4' energy: -40.163
flat angles C4'-P-C4' energy: -36.162
flat angles P-C4'-P energy: -21.386
tors. eta vs tors. theta energy: -10.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -213.790715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.790715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.790715 (E_RNA)
where:
Base-Base interactions energy: -78.942
where: short stacking energy: -64.372
Base-Backbone interact. energy: -0.942
local terms energy: -133.906375
where:
bonds (distance) C4'-P energy: -33.234
bonds (distance) P-C4' energy: -40.135
flat angles C4'-P-C4' energy: -33.017
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: -4.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -245.934754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.934754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.934754 (E_RNA)
where:
Base-Base interactions energy: -110.605
where: short stacking energy: -70.030
Base-Backbone interact. energy: -0.042
local terms energy: -135.287031
where:
bonds (distance) C4'-P energy: -34.070
bonds (distance) P-C4' energy: -46.068
flat angles C4'-P-C4' energy: -40.318
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: 0.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -180.403015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.403015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.403015 (E_RNA)
where:
Base-Base interactions energy: -58.818
where: short stacking energy: -48.938
Base-Backbone interact. energy: 0.313
local terms energy: -121.898009
where:
bonds (distance) C4'-P energy: -38.149
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: 1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -651.030700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.030700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.030700 (E_RNA)
where:
Base-Base interactions energy: -413.622
where: short stacking energy: -199.193
Base-Backbone interact. energy: -0.611
local terms energy: -236.797132
where:
bonds (distance) C4'-P energy: -42.447
bonds (distance) P-C4' energy: -44.253
flat angles C4'-P-C4' energy: -51.157
flat angles P-C4'-P energy: -36.769
tors. eta vs tors. theta energy: -62.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -572.067100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.067100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.067100 (E_RNA)
where:
Base-Base interactions energy: -367.428
where: short stacking energy: -153.266
Base-Backbone interact. energy: -0.444
local terms energy: -204.194916
where:
bonds (distance) C4'-P energy: -41.465
bonds (distance) P-C4' energy: -46.312
flat angles C4'-P-C4' energy: -44.358
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -41.591
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: 3, replica: 4
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -565.508418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.508418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.508418 (E_RNA)
where:
Base-Base interactions energy: -368.584
where: short stacking energy: -162.951
Base-Backbone interact. energy: -0.428
local terms energy: -196.496250
where:
bonds (distance) C4'-P energy: -41.733
bonds (distance) P-C4' energy: -42.631
flat angles C4'-P-C4' energy: -39.984
flat angles P-C4'-P energy: -31.602
tors. eta vs tors. theta energy: -40.546
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: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -497.856360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.856360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.856360 (E_RNA)
where:
Base-Base interactions energy: -297.066
where: short stacking energy: -160.600
Base-Backbone interact. energy: -0.163
local terms energy: -200.627727
where:
bonds (distance) C4'-P energy: -38.897
bonds (distance) P-C4' energy: -44.023
flat angles C4'-P-C4' energy: -44.030
flat angles P-C4'-P energy: -29.809
tors. eta vs tors. theta energy: -43.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -446.666179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.666179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.666179 (E_RNA)
where:
Base-Base interactions energy: -276.252
where: short stacking energy: -119.269
Base-Backbone interact. energy: 1.855
local terms energy: -172.268328
where:
bonds (distance) C4'-P energy: -32.548
bonds (distance) P-C4' energy: -40.408
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -32.418
tors. eta vs tors. theta energy: -32.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -360.286965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.286965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.286965 (E_RNA)
where:
Base-Base interactions energy: -185.778
where: short stacking energy: -117.193
Base-Backbone interact. energy: -1.043
local terms energy: -173.465804
where:
bonds (distance) C4'-P energy: -40.664
bonds (distance) P-C4' energy: -46.884
flat angles C4'-P-C4' energy: -43.003
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -221.846234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.846234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.846234 (E_RNA)
where:
Base-Base interactions energy: -83.232
where: short stacking energy: -76.013
Base-Backbone interact. energy: -0.437
local terms energy: -138.177349
where:
bonds (distance) C4'-P energy: -38.309
bonds (distance) P-C4' energy: -40.809
flat angles C4'-P-C4' energy: -34.922
flat angles P-C4'-P energy: -16.684
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -277.143674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.143674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.143674 (E_RNA)
where:
Base-Base interactions energy: -125.108
where: short stacking energy: -61.827
Base-Backbone interact. energy: -1.146
local terms energy: -150.889365
where:
bonds (distance) C4'-P energy: -45.351
bonds (distance) P-C4' energy: -44.277
flat angles C4'-P-C4' energy: -37.398
flat angles P-C4'-P energy: -14.964
tors. eta vs tors. theta energy: -8.899
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: 2
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -196.588399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.588399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.588399 (E_RNA)
where:
Base-Base interactions energy: -83.436
where: short stacking energy: -65.554
Base-Backbone interact. energy: 1.483
local terms energy: -114.635063
where:
bonds (distance) C4'-P energy: -41.394
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -37.086
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -1.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -182.196474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.196474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.196474 (E_RNA)
where:
Base-Base interactions energy: -63.055
where: short stacking energy: -39.493
Base-Backbone interact. energy: -1.228
local terms energy: -117.913875
where:
bonds (distance) C4'-P energy: -41.231
bonds (distance) P-C4' energy: -34.530
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: 1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -651.292649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.292649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.292649 (E_RNA)
where:
Base-Base interactions energy: -419.444
where: short stacking energy: -212.622
Base-Backbone interact. energy: -0.474
local terms energy: -231.374709
where:
bonds (distance) C4'-P energy: -47.695
bonds (distance) P-C4' energy: -43.412
flat angles C4'-P-C4' energy: -49.048
flat angles P-C4'-P energy: -28.343
tors. eta vs tors. theta energy: -62.878
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: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -570.592013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.592013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.592013 (E_RNA)
where:
Base-Base interactions energy: -357.795
where: short stacking energy: -160.761
Base-Backbone interact. energy: -0.397
local terms energy: -212.400586
where:
bonds (distance) C4'-P energy: -45.410
bonds (distance) P-C4' energy: -46.126
flat angles C4'-P-C4' energy: -46.497
flat angles P-C4'-P energy: -29.672
tors. eta vs tors. theta energy: -44.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -555.258023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.258023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.258023 (E_RNA)
where:
Base-Base interactions energy: -351.105
where: short stacking energy: -157.376
Base-Backbone interact. energy: -0.897
local terms energy: -203.256784
where:
bonds (distance) C4'-P energy: -36.791
bonds (distance) P-C4' energy: -43.092
flat angles C4'-P-C4' energy: -49.012
flat angles P-C4'-P energy: -29.647
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: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -459.803421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.803421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.803421 (E_RNA)
where:
Base-Base interactions energy: -265.046
where: short stacking energy: -131.990
Base-Backbone interact. energy: -0.589
local terms energy: -194.168440
where:
bonds (distance) C4'-P energy: -35.244
bonds (distance) P-C4' energy: -52.115
flat angles C4'-P-C4' energy: -44.338
flat angles P-C4'-P energy: -26.250
tors. eta vs tors. theta energy: -36.222
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: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -446.603044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.603044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.603044 (E_RNA)
where:
Base-Base interactions energy: -269.217
where: short stacking energy: -133.636
Base-Backbone interact. energy: 2.213
local terms energy: -179.599389
where:
bonds (distance) C4'-P energy: -43.243
bonds (distance) P-C4' energy: -38.651
flat angles C4'-P-C4' energy: -38.602
flat angles P-C4'-P energy: -29.033
tors. eta vs tors. theta energy: -30.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -383.926404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.926404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.926404 (E_RNA)
where:
Base-Base interactions energy: -212.631
where: short stacking energy: -111.915
Base-Backbone interact. energy: -0.486
local terms energy: -170.809004
where:
bonds (distance) C4'-P energy: -44.616
bonds (distance) P-C4' energy: -40.462
flat angles C4'-P-C4' energy: -41.051
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -25.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -226.017653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.017653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.017653 (E_RNA)
where:
Base-Base interactions energy: -89.896
where: short stacking energy: -87.494
Base-Backbone interact. energy: -0.831
local terms energy: -135.290219
where:
bonds (distance) C4'-P energy: -35.195
bonds (distance) P-C4' energy: -28.328
flat angles C4'-P-C4' energy: -39.712
flat angles P-C4'-P energy: -15.174
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: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -260.604759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.604759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.604759 (E_RNA)
where:
Base-Base interactions energy: -120.537
where: short stacking energy: -74.694
Base-Backbone interact. energy: -0.022
local terms energy: -140.045922
where:
bonds (distance) C4'-P energy: -39.401
bonds (distance) P-C4' energy: -32.000
flat angles C4'-P-C4' energy: -32.740
flat angles P-C4'-P energy: -23.641
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -195.539209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.539209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.539209 (E_RNA)
where:
Base-Base interactions energy: -82.578
where: short stacking energy: -56.766
Base-Backbone interact. energy: 1.669
local terms energy: -114.630985
where:
bonds (distance) C4'-P energy: -28.619
bonds (distance) P-C4' energy: -35.007
flat angles C4'-P-C4' energy: -33.111
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -202.348499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.348499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.348499 (E_RNA)
where:
Base-Base interactions energy: -69.980
where: short stacking energy: -60.117
Base-Backbone interact. energy: -0.438
local terms energy: -131.930672
where:
bonds (distance) C4'-P energy: -38.876
bonds (distance) P-C4' energy: -33.799
flat angles C4'-P-C4' energy: -32.247
flat angles P-C4'-P energy: -21.113
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -655.329494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.329494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.329494 (E_RNA)
where:
Base-Base interactions energy: -416.180
where: short stacking energy: -213.984
Base-Backbone interact. energy: -0.052
local terms energy: -239.097616
where:
bonds (distance) C4'-P energy: -36.675
bonds (distance) P-C4' energy: -47.645
flat angles C4'-P-C4' energy: -48.757
flat angles P-C4'-P energy: -33.801
tors. eta vs tors. theta energy: -72.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -582.292662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.292662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.292662 (E_RNA)
where:
Base-Base interactions energy: -356.646
where: short stacking energy: -167.982
Base-Backbone interact. energy: -0.100
local terms energy: -225.546508
where:
bonds (distance) C4'-P energy: -42.529
bonds (distance) P-C4' energy: -47.585
flat angles C4'-P-C4' energy: -48.510
flat angles P-C4'-P energy: -35.793
tors. eta vs tors. theta energy: -51.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -600.050080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.050080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.050080 (E_RNA)
where:
Base-Base interactions energy: -394.476
where: short stacking energy: -171.875
Base-Backbone interact. energy: -2.026
local terms energy: -203.547691
where:
bonds (distance) C4'-P energy: -32.364
bonds (distance) P-C4' energy: -39.240
flat angles C4'-P-C4' energy: -50.052
flat angles P-C4'-P energy: -30.639
tors. eta vs tors. theta energy: -51.251
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: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -469.516007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.516007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.516007 (E_RNA)
where:
Base-Base interactions energy: -276.086
where: short stacking energy: -168.823
Base-Backbone interact. energy: -0.528
local terms energy: -192.902136
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -40.773
flat angles C4'-P-C4' energy: -43.882
flat angles P-C4'-P energy: -23.189
tors. eta vs tors. theta energy: -48.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -460.748166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.748166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.748166 (E_RNA)
where:
Base-Base interactions energy: -283.718
where: short stacking energy: -136.364
Base-Backbone interact. energy: 2.045
local terms energy: -179.075331
where:
bonds (distance) C4'-P energy: -34.661
bonds (distance) P-C4' energy: -40.510
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -31.865
tors. eta vs tors. theta energy: -34.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -388.733072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.733072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.733072 (E_RNA)
where:
Base-Base interactions energy: -217.211
where: short stacking energy: -115.968
Base-Backbone interact. energy: -0.206
local terms energy: -171.315847
where:
bonds (distance) C4'-P energy: -33.562
bonds (distance) P-C4' energy: -46.647
flat angles C4'-P-C4' energy: -33.249
flat angles P-C4'-P energy: -32.173
tors. eta vs tors. theta energy: -25.686
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: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -299.756419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.756419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.756419 (E_RNA)
where:
Base-Base interactions energy: -147.492
where: short stacking energy: -78.477
Base-Backbone interact. energy: -0.803
local terms energy: -151.461987
where:
bonds (distance) C4'-P energy: -41.875
bonds (distance) P-C4' energy: -42.534
flat angles C4'-P-C4' energy: -34.553
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: -13.087
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: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -220.533174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.533174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.533174 (E_RNA)
where:
Base-Base interactions energy: -82.088
where: short stacking energy: -80.021
Base-Backbone interact. energy: -0.122
local terms energy: -138.322948
where:
bonds (distance) C4'-P energy: -35.648
bonds (distance) P-C4' energy: -38.549
flat angles C4'-P-C4' energy: -38.822
flat angles P-C4'-P energy: -15.289
tors. eta vs tors. theta energy: -10.015
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: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -192.913819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.913819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.913819 (E_RNA)
where:
Base-Base interactions energy: -56.595
where: short stacking energy: -45.495
Base-Backbone interact. energy: 2.281
local terms energy: -138.599849
where:
bonds (distance) C4'-P energy: -33.961
bonds (distance) P-C4' energy: -38.188
flat angles C4'-P-C4' energy: -39.043
flat angles P-C4'-P energy: -24.289
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -183.932163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.932163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.932163 (E_RNA)
where:
Base-Base interactions energy: -57.718
where: short stacking energy: -49.591
Base-Backbone interact. energy: 2.809
local terms energy: -129.023997
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -20.384
tors. eta vs tors. theta energy: -0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -653.674101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.674101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.674101 (E_RNA)
where:
Base-Base interactions energy: -413.828
where: short stacking energy: -219.072
Base-Backbone interact. energy: -0.439
local terms energy: -239.407207
where:
bonds (distance) C4'-P energy: -40.187
bonds (distance) P-C4' energy: -48.298
flat angles C4'-P-C4' energy: -51.143
flat angles P-C4'-P energy: -35.733
tors. eta vs tors. theta energy: -64.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -610.809202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.809202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.809202 (E_RNA)
where:
Base-Base interactions energy: -407.137
where: short stacking energy: -193.677
Base-Backbone interact. energy: -0.505
local terms energy: -203.166722
where:
bonds (distance) C4'-P energy: -33.217
bonds (distance) P-C4' energy: -45.912
flat angles C4'-P-C4' energy: -48.284
flat angles P-C4'-P energy: -27.098
tors. eta vs tors. theta energy: -48.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -571.685206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.685206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.685206 (E_RNA)
where:
Base-Base interactions energy: -367.632
where: short stacking energy: -158.672
Base-Backbone interact. energy: -0.701
local terms energy: -203.351885
where:
bonds (distance) C4'-P energy: -39.274
bonds (distance) P-C4' energy: -44.462
flat angles C4'-P-C4' energy: -45.600
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -39.908
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: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -483.992245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.992245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.992245 (E_RNA)
where:
Base-Base interactions energy: -285.323
where: short stacking energy: -124.135
Base-Backbone interact. energy: -0.725
local terms energy: -197.944509
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -46.360
flat angles C4'-P-C4' energy: -38.309
flat angles P-C4'-P energy: -32.513
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: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -453.515814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.515814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.515814 (E_RNA)
where:
Base-Base interactions energy: -270.147
where: short stacking energy: -143.522
Base-Backbone interact. energy: 0.705
local terms energy: -184.073858
where:
bonds (distance) C4'-P energy: -37.617
bonds (distance) P-C4' energy: -39.870
flat angles C4'-P-C4' energy: -44.122
flat angles P-C4'-P energy: -30.443
tors. eta vs tors. theta energy: -32.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -375.244310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.244310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.244310 (E_RNA)
where:
Base-Base interactions energy: -212.190
where: short stacking energy: -106.983
Base-Backbone interact. energy: 0.120
local terms energy: -163.174063
where:
bonds (distance) C4'-P energy: -41.672
bonds (distance) P-C4' energy: -35.212
flat angles C4'-P-C4' energy: -34.868
flat angles P-C4'-P energy: -28.095
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: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -326.712002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.712002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.712002 (E_RNA)
where:
Base-Base interactions energy: -184.727
where: short stacking energy: -87.357
Base-Backbone interact. energy: -1.574
local terms energy: -140.411161
where:
bonds (distance) C4'-P energy: -34.524
bonds (distance) P-C4' energy: -30.637
flat angles C4'-P-C4' energy: -31.663
flat angles P-C4'-P energy: -30.632
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -216.317158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.317158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.317158 (E_RNA)
where:
Base-Base interactions energy: -80.514
where: short stacking energy: -64.327
Base-Backbone interact. energy: -0.992
local terms energy: -134.811336
where:
bonds (distance) C4'-P energy: -38.720
bonds (distance) P-C4' energy: -44.732
flat angles C4'-P-C4' energy: -37.278
flat angles P-C4'-P energy: -16.737
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: 9, replica: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -199.897071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.897071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.897071 (E_RNA)
where:
Base-Base interactions energy: -82.686
where: short stacking energy: -81.943
Base-Backbone interact. energy: -0.100
local terms energy: -117.110933
where:
bonds (distance) C4'-P energy: -29.055
bonds (distance) P-C4' energy: -31.528
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -27.266
tors. eta vs tors. theta energy: -11.197
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: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -173.827757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.827757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.827757 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -37.095
Base-Backbone interact. energy: -0.935
local terms energy: -133.354174
where:
bonds (distance) C4'-P energy: -43.848
bonds (distance) P-C4' energy: -29.398
flat angles C4'-P-C4' energy: -41.115
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: 6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -636.517192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.517192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.517192 (E_RNA)
where:
Base-Base interactions energy: -409.568
where: short stacking energy: -212.069
Base-Backbone interact. energy: -0.045
local terms energy: -226.904247
where:
bonds (distance) C4'-P energy: -44.408
bonds (distance) P-C4' energy: -40.840
flat angles C4'-P-C4' energy: -45.913
flat angles P-C4'-P energy: -35.411
tors. eta vs tors. theta energy: -60.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -617.262795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.262795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.262795 (E_RNA)
where:
Base-Base interactions energy: -389.586
where: short stacking energy: -200.760
Base-Backbone interact. energy: -0.891
local terms energy: -226.785743
where:
bonds (distance) C4'-P energy: -37.397
bonds (distance) P-C4' energy: -43.735
flat angles C4'-P-C4' energy: -49.460
flat angles P-C4'-P energy: -34.148
tors. eta vs tors. theta energy: -62.045
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: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -562.942104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.942104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.942104 (E_RNA)
where:
Base-Base interactions energy: -362.392
where: short stacking energy: -172.254
Base-Backbone interact. energy: -0.291
local terms energy: -200.259015
where:
bonds (distance) C4'-P energy: -41.859
bonds (distance) P-C4' energy: -40.527
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -27.436
tors. eta vs tors. theta energy: -44.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -527.956447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.956447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.956447 (E_RNA)
where:
Base-Base interactions energy: -343.080
where: short stacking energy: -147.869
Base-Backbone interact. energy: -0.999
local terms energy: -183.877814
where:
bonds (distance) C4'-P energy: -47.914
bonds (distance) P-C4' energy: -41.833
flat angles C4'-P-C4' energy: -36.151
flat angles P-C4'-P energy: -28.439
tors. eta vs tors. theta energy: -29.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -425.609763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.609763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.609763 (E_RNA)
where:
Base-Base interactions energy: -249.170
where: short stacking energy: -127.793
Base-Backbone interact. energy: -0.310
local terms energy: -176.129327
where:
bonds (distance) C4'-P energy: -43.013
bonds (distance) P-C4' energy: -34.381
flat angles C4'-P-C4' energy: -44.002
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -28.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -381.683742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.683742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.683742 (E_RNA)
where:
Base-Base interactions energy: -206.411
where: short stacking energy: -112.982
Base-Backbone interact. energy: -0.227
local terms energy: -175.046431
where:
bonds (distance) C4'-P energy: -41.435
bonds (distance) P-C4' energy: -40.203
flat angles C4'-P-C4' energy: -26.987
flat angles P-C4'-P energy: -32.674
tors. eta vs tors. theta energy: -33.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -287.947375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.947375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.947375 (E_RNA)
where:
Base-Base interactions energy: -155.915
where: short stacking energy: -84.018
Base-Backbone interact. energy: -0.485
local terms energy: -131.547123
where:
bonds (distance) C4'-P energy: -34.103
bonds (distance) P-C4' energy: -37.076
flat angles C4'-P-C4' energy: -26.827
flat angles P-C4'-P energy: -24.726
tors. eta vs tors. theta energy: -8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -201.119930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.119930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.119930 (E_RNA)
where:
Base-Base interactions energy: -76.644
where: short stacking energy: -53.432
Base-Backbone interact. energy: 0.696
local terms energy: -125.172599
where:
bonds (distance) C4'-P energy: -36.512
bonds (distance) P-C4' energy: -43.834
flat angles C4'-P-C4' energy: -31.389
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -202.862692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.862692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.862692 (E_RNA)
where:
Base-Base interactions energy: -74.587
where: short stacking energy: -58.173
Base-Backbone interact. energy: -1.507
local terms energy: -126.768379
where:
bonds (distance) C4'-P energy: -40.691
bonds (distance) P-C4' energy: -36.815
flat angles C4'-P-C4' energy: -27.611
flat angles P-C4'-P energy: -20.882
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: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -190.329419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.329419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.329419 (E_RNA)
where:
Base-Base interactions energy: -71.784
where: short stacking energy: -56.193
Base-Backbone interact. energy: -0.391
local terms energy: -118.153574
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -31.349
flat angles C4'-P-C4' energy: -40.583
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: 0.704
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: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -635.156048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.156048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.156048 (E_RNA)
where:
Base-Base interactions energy: -404.082
where: short stacking energy: -205.374
Base-Backbone interact. energy: -0.071
local terms energy: -231.003023
where:
bonds (distance) C4'-P energy: -40.302
bonds (distance) P-C4' energy: -43.629
flat angles C4'-P-C4' energy: -51.477
flat angles P-C4'-P energy: -34.080
tors. eta vs tors. theta energy: -61.515
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: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -567.099459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.099459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.099459 (E_RNA)
where:
Base-Base interactions energy: -358.183
where: short stacking energy: -165.886
Base-Backbone interact. energy: -0.633
local terms energy: -208.283037
where:
bonds (distance) C4'-P energy: -45.515
bonds (distance) P-C4' energy: -37.939
flat angles C4'-P-C4' energy: -50.230
flat angles P-C4'-P energy: -27.863
tors. eta vs tors. theta energy: -46.736
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: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -572.535214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.535214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.535214 (E_RNA)
where:
Base-Base interactions energy: -376.265
where: short stacking energy: -177.635
Base-Backbone interact. energy: -0.065
local terms energy: -196.205029
where:
bonds (distance) C4'-P energy: -43.408
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -40.247
flat angles P-C4'-P energy: -22.994
tors. eta vs tors. theta energy: -51.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -509.058178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.058178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.058178 (E_RNA)
where:
Base-Base interactions energy: -307.903
where: short stacking energy: -155.865
Base-Backbone interact. energy: -0.681
local terms energy: -200.474310
where:
bonds (distance) C4'-P energy: -39.279
bonds (distance) P-C4' energy: -47.641
flat angles C4'-P-C4' energy: -42.365
flat angles P-C4'-P energy: -32.077
tors. eta vs tors. theta energy: -39.113
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: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -409.895471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.895471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.895471 (E_RNA)
where:
Base-Base interactions energy: -253.773
where: short stacking energy: -117.257
Base-Backbone interact. energy: -0.599
local terms energy: -155.523212
where:
bonds (distance) C4'-P energy: -35.910
bonds (distance) P-C4' energy: -38.887
flat angles C4'-P-C4' energy: -27.886
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: -24.576
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: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -414.242608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.242608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.242608 (E_RNA)
where:
Base-Base interactions energy: -249.619
where: short stacking energy: -120.048
Base-Backbone interact. energy: -1.529
local terms energy: -163.094568
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -37.891
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -26.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -317.090087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.090087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.090087 (E_RNA)
where:
Base-Base interactions energy: -152.654
where: short stacking energy: -85.689
Base-Backbone interact. energy: 1.522
local terms energy: -165.957762
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -49.539
flat angles C4'-P-C4' energy: -39.066
flat angles P-C4'-P energy: -26.202
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -204.911302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.911302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.911302 (E_RNA)
where:
Base-Base interactions energy: -70.159
where: short stacking energy: -55.023
Base-Backbone interact. energy: -0.778
local terms energy: -133.974650
where:
bonds (distance) C4'-P energy: -39.023
bonds (distance) P-C4' energy: -38.263
flat angles C4'-P-C4' energy: -38.775
flat angles P-C4'-P energy: -23.271
tors. eta vs tors. theta energy: 5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -215.290537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.290537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.290537 (E_RNA)
where:
Base-Base interactions energy: -69.206
where: short stacking energy: -65.613
Base-Backbone interact. energy: 1.603
local terms energy: -147.686745
where:
bonds (distance) C4'-P energy: -39.593
bonds (distance) P-C4' energy: -48.358
flat angles C4'-P-C4' energy: -33.072
flat angles P-C4'-P energy: -22.212
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -182.937359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.937359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.937359 (E_RNA)
where:
Base-Base interactions energy: -69.355
where: short stacking energy: -58.425
Base-Backbone interact. energy: -0.311
local terms energy: -113.271671
where:
bonds (distance) C4'-P energy: -36.794
bonds (distance) P-C4' energy: -37.501
flat angles C4'-P-C4' energy: -30.477
flat angles P-C4'-P energy: -12.683
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: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -632.858496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.858496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.858496 (E_RNA)
where:
Base-Base interactions energy: -405.672
where: short stacking energy: -208.322
Base-Backbone interact. energy: -0.737
local terms energy: -226.449569
where:
bonds (distance) C4'-P energy: -37.583
bonds (distance) P-C4' energy: -44.484
flat angles C4'-P-C4' energy: -54.043
flat angles P-C4'-P energy: -28.445
tors. eta vs tors. theta energy: -61.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -559.950826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.950826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.950826 (E_RNA)
where:
Base-Base interactions energy: -348.392
where: short stacking energy: -169.904
Base-Backbone interact. energy: -0.504
local terms energy: -211.055451
where:
bonds (distance) C4'-P energy: -42.130
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -46.817
flat angles P-C4'-P energy: -32.304
tors. eta vs tors. theta energy: -46.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -564.420666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.420666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.420666 (E_RNA)
where:
Base-Base interactions energy: -363.360
where: short stacking energy: -167.967
Base-Backbone interact. energy: -1.635
local terms energy: -199.425822
where:
bonds (distance) C4'-P energy: -39.638
bonds (distance) P-C4' energy: -44.192
flat angles C4'-P-C4' energy: -45.202
flat angles P-C4'-P energy: -21.034
tors. eta vs tors. theta energy: -49.360
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: 72
Temperature: 1.050000
Total energy: -484.803398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.803398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.803398 (E_RNA)
where:
Base-Base interactions energy: -296.955
where: short stacking energy: -142.365
Base-Backbone interact. energy: -0.835
local terms energy: -187.013506
where:
bonds (distance) C4'-P energy: -41.188
bonds (distance) P-C4' energy: -39.425
flat angles C4'-P-C4' energy: -42.111
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -41.188
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: 72
Temperature: 1.100000
Total energy: -465.886727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.886727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.886727 (E_RNA)
where:
Base-Base interactions energy: -289.048
where: short stacking energy: -152.071
Base-Backbone interact. energy: -0.137
local terms energy: -176.702402
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -39.659
flat angles C4'-P-C4' energy: -44.153
flat angles P-C4'-P energy: -28.874
tors. eta vs tors. theta energy: -36.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -388.455047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.455047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.455047 (E_RNA)
where:
Base-Base interactions energy: -209.366
where: short stacking energy: -114.784
Base-Backbone interact. energy: -1.657
local terms energy: -177.431816
where:
bonds (distance) C4'-P energy: -43.426
bonds (distance) P-C4' energy: -45.721
flat angles C4'-P-C4' energy: -43.143
flat angles P-C4'-P energy: -18.063
tors. eta vs tors. theta energy: -27.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -293.412205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.412205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.412205 (E_RNA)
where:
Base-Base interactions energy: -140.529
where: short stacking energy: -78.566
Base-Backbone interact. energy: -0.433
local terms energy: -152.450103
where:
bonds (distance) C4'-P energy: -45.060
bonds (distance) P-C4' energy: -42.232
flat angles C4'-P-C4' energy: -34.849
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -9.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -199.517556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.517556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.517556 (E_RNA)
where:
Base-Base interactions energy: -59.080
where: short stacking energy: -57.363
Base-Backbone interact. energy: -0.722
local terms energy: -139.715585
where:
bonds (distance) C4'-P energy: -39.923
bonds (distance) P-C4' energy: -40.081
flat angles C4'-P-C4' energy: -36.775
flat angles P-C4'-P energy: -18.849
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -216.808893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.808893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.808893 (E_RNA)
where:
Base-Base interactions energy: -79.246
where: short stacking energy: -65.157
Base-Backbone interact. energy: 0.009
local terms energy: -137.572035
where:
bonds (distance) C4'-P energy: -35.962
bonds (distance) P-C4' energy: -38.290
flat angles C4'-P-C4' energy: -40.959
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -8.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -187.579124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.579124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.579124 (E_RNA)
where:
Base-Base interactions energy: -55.067
where: short stacking energy: -35.889
Base-Backbone interact. energy: -0.360
local terms energy: -132.152537
where:
bonds (distance) C4'-P energy: -45.962
bonds (distance) P-C4' energy: -41.351
flat angles C4'-P-C4' energy: -34.069
flat angles P-C4'-P energy: -19.467
tors. eta vs tors. theta energy: 8.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -621.811733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.811733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.811733 (E_RNA)
where:
Base-Base interactions energy: -396.583
where: short stacking energy: -198.970
Base-Backbone interact. energy: -0.687
local terms energy: -224.541721
where:
bonds (distance) C4'-P energy: -41.684
bonds (distance) P-C4' energy: -45.999
flat angles C4'-P-C4' energy: -42.567
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -63.714
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: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -589.188480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.188480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.188480 (E_RNA)
where:
Base-Base interactions energy: -393.840
where: short stacking energy: -166.239
Base-Backbone interact. energy: -0.317
local terms energy: -195.031340
where:
bonds (distance) C4'-P energy: -37.767
bonds (distance) P-C4' energy: -43.609
flat angles C4'-P-C4' energy: -42.124
flat angles P-C4'-P energy: -22.904
tors. eta vs tors. theta energy: -48.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -575.554779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.554779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.554779 (E_RNA)
where:
Base-Base interactions energy: -370.615
where: short stacking energy: -183.871
Base-Backbone interact. energy: 0.340
local terms energy: -205.278993
where:
bonds (distance) C4'-P energy: -42.487
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -51.407
flat angles P-C4'-P energy: -30.076
tors. eta vs tors. theta energy: -45.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -507.392701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.392701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.392701 (E_RNA)
where:
Base-Base interactions energy: -317.247
where: short stacking energy: -162.280
Base-Backbone interact. energy: -0.352
local terms energy: -189.794172
where:
bonds (distance) C4'-P energy: -36.541
bonds (distance) P-C4' energy: -28.866
flat angles C4'-P-C4' energy: -46.730
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -44.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -520.325408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.325408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.325408 (E_RNA)
where:
Base-Base interactions energy: -315.692
where: short stacking energy: -147.332
Base-Backbone interact. energy: -0.783
local terms energy: -203.849840
where:
bonds (distance) C4'-P energy: -38.764
bonds (distance) P-C4' energy: -42.904
flat angles C4'-P-C4' energy: -46.030
flat angles P-C4'-P energy: -34.423
tors. eta vs tors. theta energy: -41.729
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: 6, replica: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -430.764955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.764955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.764955 (E_RNA)
where:
Base-Base interactions energy: -245.850
where: short stacking energy: -143.454
Base-Backbone interact. energy: -1.448
local terms energy: -183.466545
where:
bonds (distance) C4'-P energy: -34.234
bonds (distance) P-C4' energy: -38.383
flat angles C4'-P-C4' energy: -44.306
flat angles P-C4'-P energy: -32.237
tors. eta vs tors. theta energy: -34.307
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: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -304.369403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.369403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.369403 (E_RNA)
where:
Base-Base interactions energy: -152.112
where: short stacking energy: -91.686
Base-Backbone interact. energy: -2.223
local terms energy: -150.034352
where:
bonds (distance) C4'-P energy: -34.253
bonds (distance) P-C4' energy: -38.348
flat angles C4'-P-C4' energy: -37.357
flat angles P-C4'-P energy: -24.564
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -215.271495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.271495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.271495 (E_RNA)
where:
Base-Base interactions energy: -88.335
where: short stacking energy: -56.516
Base-Backbone interact. energy: -0.674
local terms energy: -126.262472
where:
bonds (distance) C4'-P energy: -29.300
bonds (distance) P-C4' energy: -37.873
flat angles C4'-P-C4' energy: -38.106
flat angles P-C4'-P energy: -20.433
tors. eta vs tors. theta energy: -0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -173.892130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.892130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.892130 (E_RNA)
where:
Base-Base interactions energy: -64.402
where: short stacking energy: -54.442
Base-Backbone interact. energy: -0.390
local terms energy: -109.099653
where:
bonds (distance) C4'-P energy: -28.536
bonds (distance) P-C4' energy: -41.069
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -18.420
tors. eta vs tors. theta energy: 0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -184.676528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.676528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.676528 (E_RNA)
where:
Base-Base interactions energy: -68.832
where: short stacking energy: -46.768
Base-Backbone interact. energy: -0.499
local terms energy: -115.346022
where:
bonds (distance) C4'-P energy: -36.976
bonds (distance) P-C4' energy: -38.591
flat angles C4'-P-C4' energy: -29.033
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: 4.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -625.337305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.337305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.337305 (E_RNA)
where:
Base-Base interactions energy: -409.514
where: short stacking energy: -208.444
Base-Backbone interact. energy: 1.885
local terms energy: -217.708708
where:
bonds (distance) C4'-P energy: -41.289
bonds (distance) P-C4' energy: -45.699
flat angles C4'-P-C4' energy: -44.305
flat angles P-C4'-P energy: -25.783
tors. eta vs tors. theta energy: -60.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -604.357439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.357439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.357439 (E_RNA)
where:
Base-Base interactions energy: -390.074
where: short stacking energy: -169.555
Base-Backbone interact. energy: -0.531
local terms energy: -213.752698
where:
bonds (distance) C4'-P energy: -39.646
bonds (distance) P-C4' energy: -44.668
flat angles C4'-P-C4' energy: -45.774
flat angles P-C4'-P energy: -31.622
tors. eta vs tors. theta energy: -52.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -561.254308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.254308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.254308 (E_RNA)
where:
Base-Base interactions energy: -369.920
where: short stacking energy: -169.851
Base-Backbone interact. energy: -0.319
local terms energy: -191.014538
where:
bonds (distance) C4'-P energy: -41.549
bonds (distance) P-C4' energy: -38.971
flat angles C4'-P-C4' energy: -44.271
flat angles P-C4'-P energy: -28.495
tors. eta vs tors. theta energy: -37.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -476.064462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.064462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.064462 (E_RNA)
where:
Base-Base interactions energy: -295.594
where: short stacking energy: -155.902
Base-Backbone interact. energy: 1.526
local terms energy: -181.996336
where:
bonds (distance) C4'-P energy: -32.342
bonds (distance) P-C4' energy: -41.272
flat angles C4'-P-C4' energy: -40.515
flat angles P-C4'-P energy: -31.193
tors. eta vs tors. theta energy: -36.675
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: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -499.889483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.889483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.889483 (E_RNA)
where:
Base-Base interactions energy: -327.573
where: short stacking energy: -174.462
Base-Backbone interact. energy: -0.608
local terms energy: -171.708497
where:
bonds (distance) C4'-P energy: -26.554
bonds (distance) P-C4' energy: -36.003
flat angles C4'-P-C4' energy: -41.061
flat angles P-C4'-P energy: -28.329
tors. eta vs tors. theta energy: -39.762
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: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -414.702269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.702269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.702269 (E_RNA)
where:
Base-Base interactions energy: -249.865
where: short stacking energy: -116.577
Base-Backbone interact. energy: 0.261
local terms energy: -165.098106
where:
bonds (distance) C4'-P energy: -34.250
bonds (distance) P-C4' energy: -41.022
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -25.650
tors. eta vs tors. theta energy: -30.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -309.782463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.782463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.782463 (E_RNA)
where:
Base-Base interactions energy: -162.566
where: short stacking energy: -94.605
Base-Backbone interact. energy: 1.374
local terms energy: -148.590268
where:
bonds (distance) C4'-P energy: -37.359
bonds (distance) P-C4' energy: -44.430
flat angles C4'-P-C4' energy: -39.141
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -16.233
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: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -216.751195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.751195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.751195 (E_RNA)
where:
Base-Base interactions energy: -82.825
where: short stacking energy: -73.506
Base-Backbone interact. energy: -0.332
local terms energy: -133.594124
where:
bonds (distance) C4'-P energy: -28.683
bonds (distance) P-C4' energy: -50.719
flat angles C4'-P-C4' energy: -31.356
flat angles P-C4'-P energy: -21.466
tors. eta vs tors. theta energy: -1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -197.181299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.181299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.181299 (E_RNA)
where:
Base-Base interactions energy: -85.901
where: short stacking energy: -46.928
Base-Backbone interact. energy: -0.865
local terms energy: -110.416071
where:
bonds (distance) C4'-P energy: -29.953
bonds (distance) P-C4' energy: -39.595
flat angles C4'-P-C4' energy: -36.246
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: 2.654
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: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -180.249032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.249032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.249032 (E_RNA)
where:
Base-Base interactions energy: -52.305
where: short stacking energy: -47.479
Base-Backbone interact. energy: -0.425
local terms energy: -127.518852
where:
bonds (distance) C4'-P energy: -37.364
bonds (distance) P-C4' energy: -39.560
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -22.306
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -632.826263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.826263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.826263 (E_RNA)
where:
Base-Base interactions energy: -397.881
where: short stacking energy: -201.682
Base-Backbone interact. energy: -0.063
local terms energy: -234.882799
where:
bonds (distance) C4'-P energy: -47.339
bonds (distance) P-C4' energy: -46.752
flat angles C4'-P-C4' energy: -50.721
flat angles P-C4'-P energy: -30.288
tors. eta vs tors. theta energy: -59.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -590.072621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.072621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.072621 (E_RNA)
where:
Base-Base interactions energy: -390.272
where: short stacking energy: -180.306
Base-Backbone interact. energy: -2.236
local terms energy: -197.564784
where:
bonds (distance) C4'-P energy: -39.999
bonds (distance) P-C4' energy: -42.255
flat angles C4'-P-C4' energy: -48.236
flat angles P-C4'-P energy: -27.875
tors. eta vs tors. theta energy: -39.200
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: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -571.966264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.966264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.966264 (E_RNA)
where:
Base-Base interactions energy: -377.910
where: short stacking energy: -166.417
Base-Backbone interact. energy: -1.552
local terms energy: -192.504837
where:
bonds (distance) C4'-P energy: -40.312
bonds (distance) P-C4' energy: -38.519
flat angles C4'-P-C4' energy: -43.331
flat angles P-C4'-P energy: -28.202
tors. eta vs tors. theta energy: -42.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -530.372353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.372353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.372353 (E_RNA)
where:
Base-Base interactions energy: -331.482
where: short stacking energy: -172.398
Base-Backbone interact. energy: -2.064
local terms energy: -196.826554
where:
bonds (distance) C4'-P energy: -46.550
bonds (distance) P-C4' energy: -35.699
flat angles C4'-P-C4' energy: -42.233
flat angles P-C4'-P energy: -31.955
tors. eta vs tors. theta energy: -40.390
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: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -488.223287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.223287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.223287 (E_RNA)
where:
Base-Base interactions energy: -307.305
where: short stacking energy: -160.555
Base-Backbone interact. energy: -2.393
local terms energy: -178.526034
where:
bonds (distance) C4'-P energy: -38.869
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -45.364
flat angles P-C4'-P energy: -24.299
tors. eta vs tors. theta energy: -43.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -431.737368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.737368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.737368 (E_RNA)
where:
Base-Base interactions energy: -275.556
where: short stacking energy: -122.607
Base-Backbone interact. energy: -1.790
local terms energy: -154.391168
where:
bonds (distance) C4'-P energy: -26.461
bonds (distance) P-C4' energy: -42.887
flat angles C4'-P-C4' energy: -31.928
flat angles P-C4'-P energy: -27.994
tors. eta vs tors. theta energy: -25.121
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: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -340.164833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.164833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.164833 (E_RNA)
where:
Base-Base interactions energy: -177.425
where: short stacking energy: -93.279
Base-Backbone interact. energy: -0.215
local terms energy: -162.525030
where:
bonds (distance) C4'-P energy: -38.567
bonds (distance) P-C4' energy: -50.376
flat angles C4'-P-C4' energy: -30.528
flat angles P-C4'-P energy: -22.214
tors. eta vs tors. theta energy: -20.839
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: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -216.121699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.121699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.121699 (E_RNA)
where:
Base-Base interactions energy: -83.820
where: short stacking energy: -63.850
Base-Backbone interact. energy: 0.827
local terms energy: -133.128650
where:
bonds (distance) C4'-P energy: -38.614
bonds (distance) P-C4' energy: -38.211
flat angles C4'-P-C4' energy: -41.191
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -210.536787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.536787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.536787 (E_RNA)
where:
Base-Base interactions energy: -78.193
where: short stacking energy: -55.782
Base-Backbone interact. energy: -0.063
local terms energy: -132.280810
where:
bonds (distance) C4'-P energy: -34.709
bonds (distance) P-C4' energy: -40.780
flat angles C4'-P-C4' energy: -30.398
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -191.713530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.713530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.713530 (E_RNA)
where:
Base-Base interactions energy: -64.246
where: short stacking energy: -58.387
Base-Backbone interact. energy: 0.445
local terms energy: -127.911835
where:
bonds (distance) C4'-P energy: -32.937
bonds (distance) P-C4' energy: -33.798
flat angles C4'-P-C4' energy: -29.280
flat angles P-C4'-P energy: -28.351
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -605.543998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.543998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.543998 (E_RNA)
where:
Base-Base interactions energy: -375.735
where: short stacking energy: -189.556
Base-Backbone interact. energy: 0.377
local terms energy: -230.186092
where:
bonds (distance) C4'-P energy: -47.379
bonds (distance) P-C4' energy: -47.760
flat angles C4'-P-C4' energy: -48.914
flat angles P-C4'-P energy: -35.867
tors. eta vs tors. theta energy: -50.265
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: 5
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -627.193408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.193408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.193408 (E_RNA)
where:
Base-Base interactions energy: -391.616
where: short stacking energy: -183.025
Base-Backbone interact. energy: 0.005
local terms energy: -235.582239
where:
bonds (distance) C4'-P energy: -46.649
bonds (distance) P-C4' energy: -46.225
flat angles C4'-P-C4' energy: -49.643
flat angles P-C4'-P energy: -34.940
tors. eta vs tors. theta energy: -58.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -534.794008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.794008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.794008 (E_RNA)
where:
Base-Base interactions energy: -356.485
where: short stacking energy: -162.604
Base-Backbone interact. energy: -1.259
local terms energy: -177.050358
where:
bonds (distance) C4'-P energy: -34.925
bonds (distance) P-C4' energy: -37.064
flat angles C4'-P-C4' energy: -42.967
flat angles P-C4'-P energy: -24.366
tors. eta vs tors. theta energy: -37.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -552.019780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.019780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.019780 (E_RNA)
where:
Base-Base interactions energy: -353.678
where: short stacking energy: -174.247
Base-Backbone interact. energy: -0.724
local terms energy: -197.617463
where:
bonds (distance) C4'-P energy: -37.714
bonds (distance) P-C4' energy: -41.605
flat angles C4'-P-C4' energy: -41.298
flat angles P-C4'-P energy: -27.763
tors. eta vs tors. theta energy: -49.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -498.122520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.122520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.122520 (E_RNA)
where:
Base-Base interactions energy: -312.679
where: short stacking energy: -157.218
Base-Backbone interact. energy: -0.519
local terms energy: -184.924068
where:
bonds (distance) C4'-P energy: -36.327
bonds (distance) P-C4' energy: -29.363
flat angles C4'-P-C4' energy: -45.458
flat angles P-C4'-P energy: -33.857
tors. eta vs tors. theta energy: -39.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -403.384994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.384994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.384994 (E_RNA)
where:
Base-Base interactions energy: -239.466
where: short stacking energy: -117.296
Base-Backbone interact. energy: -0.422
local terms energy: -163.497322
where:
bonds (distance) C4'-P energy: -41.568
bonds (distance) P-C4' energy: -41.608
flat angles C4'-P-C4' energy: -42.457
flat angles P-C4'-P energy: -18.980
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -337.672068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.672068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.672068 (E_RNA)
where:
Base-Base interactions energy: -193.132
where: short stacking energy: -102.130
Base-Backbone interact. energy: 1.559
local terms energy: -146.098397
where:
bonds (distance) C4'-P energy: -29.373
bonds (distance) P-C4' energy: -38.459
flat angles C4'-P-C4' energy: -39.779
flat angles P-C4'-P energy: -18.570
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -206.000664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.000664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.000664 (E_RNA)
where:
Base-Base interactions energy: -75.593
where: short stacking energy: -54.231
Base-Backbone interact. energy: 1.276
local terms energy: -131.683299
where:
bonds (distance) C4'-P energy: -42.564
bonds (distance) P-C4' energy: -37.257
flat angles C4'-P-C4' energy: -32.237
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: 4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -197.952430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.952430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.952430 (E_RNA)
where:
Base-Base interactions energy: -64.468
where: short stacking energy: -45.848
Base-Backbone interact. energy: -0.916
local terms energy: -132.568345
where:
bonds (distance) C4'-P energy: -35.626
bonds (distance) P-C4' energy: -47.307
flat angles C4'-P-C4' energy: -39.319
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: 1.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -170.882152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.882152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.882152 (E_RNA)
where:
Base-Base interactions energy: -64.732
where: short stacking energy: -39.151
Base-Backbone interact. energy: -0.956
local terms energy: -105.194057
where:
bonds (distance) C4'-P energy: -34.074
bonds (distance) P-C4' energy: -34.659
flat angles C4'-P-C4' energy: -24.053
flat angles P-C4'-P energy: -19.351
tors. eta vs tors. theta energy: 6.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -591.323115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.323115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.323115 (E_RNA)
where:
Base-Base interactions energy: -371.407
where: short stacking energy: -177.967
Base-Backbone interact. energy: -0.492
local terms energy: -219.424027
where:
bonds (distance) C4'-P energy: -44.358
bonds (distance) P-C4' energy: -48.765
flat angles C4'-P-C4' energy: -43.044
flat angles P-C4'-P energy: -36.252
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: 5
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -606.546630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.546630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.546630 (E_RNA)
where:
Base-Base interactions energy: -389.544
where: short stacking energy: -186.813
Base-Backbone interact. energy: -0.203
local terms energy: -216.800464
where:
bonds (distance) C4'-P energy: -40.858
bonds (distance) P-C4' energy: -40.177
flat angles C4'-P-C4' energy: -47.552
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: -56.872
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: 6
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -521.484869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.484869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.484869 (E_RNA)
where:
Base-Base interactions energy: -320.888
where: short stacking energy: -153.034
Base-Backbone interact. energy: -0.462
local terms energy: -200.134087
where:
bonds (distance) C4'-P energy: -42.516
bonds (distance) P-C4' energy: -44.051
flat angles C4'-P-C4' energy: -42.882
flat angles P-C4'-P energy: -29.870
tors. eta vs tors. theta energy: -40.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -539.361308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.361308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.361308 (E_RNA)
where:
Base-Base interactions energy: -352.341
where: short stacking energy: -159.930
Base-Backbone interact. energy: 1.211
local terms energy: -188.231990
where:
bonds (distance) C4'-P energy: -41.013
bonds (distance) P-C4' energy: -38.627
flat angles C4'-P-C4' energy: -38.820
flat angles P-C4'-P energy: -31.550
tors. eta vs tors. theta energy: -38.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -483.179355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.179355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.179355 (E_RNA)
where:
Base-Base interactions energy: -297.265
where: short stacking energy: -145.116
Base-Backbone interact. energy: 0.451
local terms energy: -186.365148
where:
bonds (distance) C4'-P energy: -39.513
bonds (distance) P-C4' energy: -32.798
flat angles C4'-P-C4' energy: -42.361
flat angles P-C4'-P energy: -33.811
tors. eta vs tors. theta energy: -37.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -422.225174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.225174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.225174 (E_RNA)
where:
Base-Base interactions energy: -245.987
where: short stacking energy: -132.427
Base-Backbone interact. energy: -0.394
local terms energy: -175.843817
where:
bonds (distance) C4'-P energy: -39.908
bonds (distance) P-C4' energy: -38.173
flat angles C4'-P-C4' energy: -41.752
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -28.943
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: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -297.593103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.593103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.593103 (E_RNA)
where:
Base-Base interactions energy: -143.154
where: short stacking energy: -84.535
Base-Backbone interact. energy: 1.736
local terms energy: -156.175538
where:
bonds (distance) C4'-P energy: -44.434
bonds (distance) P-C4' energy: -43.751
flat angles C4'-P-C4' energy: -36.101
flat angles P-C4'-P energy: -21.352
tors. eta vs tors. theta energy: -10.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -238.061708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.061708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.061708 (E_RNA)
where:
Base-Base interactions energy: -95.814
where: short stacking energy: -62.277
Base-Backbone interact. energy: -0.799
local terms energy: -141.449131
where:
bonds (distance) C4'-P energy: -37.455
bonds (distance) P-C4' energy: -46.552
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -26.077
tors. eta vs tors. theta energy: 1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -198.676703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.676703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.676703 (E_RNA)
where:
Base-Base interactions energy: -82.831
where: short stacking energy: -56.402
Base-Backbone interact. energy: -0.815
local terms energy: -115.029904
where:
bonds (distance) C4'-P energy: -36.103
bonds (distance) P-C4' energy: -44.880
flat angles C4'-P-C4' energy: -25.103
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: 9.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -179.767221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.767221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.767221 (E_RNA)
where:
Base-Base interactions energy: -68.432
where: short stacking energy: -60.028
Base-Backbone interact. energy: -0.021
local terms energy: -111.314049
where:
bonds (distance) C4'-P energy: -33.906
bonds (distance) P-C4' energy: -28.851
flat angles C4'-P-C4' energy: -37.725
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: 2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -643.588830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.588830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.588830 (E_RNA)
where:
Base-Base interactions energy: -407.241
where: short stacking energy: -207.669
Base-Backbone interact. energy: -0.638
local terms energy: -235.710394
where:
bonds (distance) C4'-P energy: -46.215
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -46.329
flat angles P-C4'-P energy: -35.372
tors. eta vs tors. theta energy: -62.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -581.960345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.960345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.960345 (E_RNA)
where:
Base-Base interactions energy: -367.370
where: short stacking energy: -182.765
Base-Backbone interact. energy: -0.965
local terms energy: -213.624740
where:
bonds (distance) C4'-P energy: -46.759
bonds (distance) P-C4' energy: -39.261
flat angles C4'-P-C4' energy: -48.336
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -55.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -551.779025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.779025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.779025 (E_RNA)
where:
Base-Base interactions energy: -348.926
where: short stacking energy: -157.168
Base-Backbone interact. energy: -0.315
local terms energy: -202.537844
where:
bonds (distance) C4'-P energy: -35.548
bonds (distance) P-C4' energy: -43.165
flat angles C4'-P-C4' energy: -48.745
flat angles P-C4'-P energy: -36.004
tors. eta vs tors. theta energy: -39.075
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: 78
Temperature: 1.050000
Total energy: -515.798729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.798729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.798729 (E_RNA)
where:
Base-Base interactions energy: -332.607
where: short stacking energy: -134.668
Base-Backbone interact. energy: -1.890
local terms energy: -181.302393
where:
bonds (distance) C4'-P energy: -42.755
bonds (distance) P-C4' energy: -34.517
flat angles C4'-P-C4' energy: -50.055
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -32.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -499.913752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.913752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.913752 (E_RNA)
where:
Base-Base interactions energy: -313.467
where: short stacking energy: -142.439
Base-Backbone interact. energy: -0.228
local terms energy: -186.218299
where:
bonds (distance) C4'-P energy: -38.608
bonds (distance) P-C4' energy: -33.930
flat angles C4'-P-C4' energy: -44.381
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -32.404
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: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -420.819032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.819032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.819032 (E_RNA)
where:
Base-Base interactions energy: -232.195
where: short stacking energy: -127.875
Base-Backbone interact. energy: -0.577
local terms energy: -188.047148
where:
bonds (distance) C4'-P energy: -46.223
bonds (distance) P-C4' energy: -39.811
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -29.215
tors. eta vs tors. theta energy: -27.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -295.796162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.796162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.796162 (E_RNA)
where:
Base-Base interactions energy: -149.452
where: short stacking energy: -91.580
Base-Backbone interact. energy: -0.916
local terms energy: -145.428356
where:
bonds (distance) C4'-P energy: -33.050
bonds (distance) P-C4' energy: -42.985
flat angles C4'-P-C4' energy: -37.362
flat angles P-C4'-P energy: -24.743
tors. eta vs tors. theta energy: -7.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -236.725010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.725010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.725010 (E_RNA)
where:
Base-Base interactions energy: -121.938
where: short stacking energy: -75.848
Base-Backbone interact. energy: -1.231
local terms energy: -113.555475
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -36.938
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -22.805
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: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -210.693766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.693766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.693766 (E_RNA)
where:
Base-Base interactions energy: -86.495
where: short stacking energy: -60.758
Base-Backbone interact. energy: -0.865
local terms energy: -123.334160
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -39.760
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: 5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -185.927099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.927099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.927099 (E_RNA)
where:
Base-Base interactions energy: -58.171
where: short stacking energy: -55.118
Base-Backbone interact. energy: 1.288
local terms energy: -129.043430
where:
bonds (distance) C4'-P energy: -36.706
bonds (distance) P-C4' energy: -44.253
flat angles C4'-P-C4' energy: -34.638
flat angles P-C4'-P energy: -15.508
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: 5
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -640.690889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.690889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.690889 (E_RNA)
where:
Base-Base interactions energy: -417.556
where: short stacking energy: -204.621
Base-Backbone interact. energy: -0.740
local terms energy: -222.395409
where:
bonds (distance) C4'-P energy: -36.792
bonds (distance) P-C4' energy: -45.228
flat angles C4'-P-C4' energy: -44.393
flat angles P-C4'-P energy: -31.731
tors. eta vs tors. theta energy: -64.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -578.490997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.490997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.490997 (E_RNA)
where:
Base-Base interactions energy: -370.497
where: short stacking energy: -166.525
Base-Backbone interact. energy: -0.896
local terms energy: -207.097547
where:
bonds (distance) C4'-P energy: -50.654
bonds (distance) P-C4' energy: -39.078
flat angles C4'-P-C4' energy: -45.861
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -47.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -577.379804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.379804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.379804 (E_RNA)
where:
Base-Base interactions energy: -368.981
where: short stacking energy: -177.208
Base-Backbone interact. energy: 0.357
local terms energy: -208.755550
where:
bonds (distance) C4'-P energy: -42.931
bonds (distance) P-C4' energy: -41.335
flat angles C4'-P-C4' energy: -50.320
flat angles P-C4'-P energy: -30.999
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: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -521.097503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.097503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.097503 (E_RNA)
where:
Base-Base interactions energy: -338.845
where: short stacking energy: -156.163
Base-Backbone interact. energy: -1.140
local terms energy: -181.112292
where:
bonds (distance) C4'-P energy: -29.864
bonds (distance) P-C4' energy: -42.635
flat angles C4'-P-C4' energy: -39.567
flat angles P-C4'-P energy: -27.494
tors. eta vs tors. theta energy: -41.553
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: 79
Temperature: 1.100000
Total energy: -541.957070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.957070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.957070 (E_RNA)
where:
Base-Base interactions energy: -354.517
where: short stacking energy: -164.997
Base-Backbone interact. energy: 0.636
local terms energy: -188.075755
where:
bonds (distance) C4'-P energy: -39.672
bonds (distance) P-C4' energy: -35.158
flat angles C4'-P-C4' energy: -44.076
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -48.416
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: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -401.116141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.116141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.116141 (E_RNA)
where:
Base-Base interactions energy: -238.101
where: short stacking energy: -127.627
Base-Backbone interact. energy: -1.452
local terms energy: -161.563971
where:
bonds (distance) C4'-P energy: -40.609
bonds (distance) P-C4' energy: -42.477
flat angles C4'-P-C4' energy: -32.632
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -26.408
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: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -310.152835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.152835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.152835 (E_RNA)
where:
Base-Base interactions energy: -151.576
where: short stacking energy: -87.817
Base-Backbone interact. energy: -0.560
local terms energy: -158.016723
where:
bonds (distance) C4'-P energy: -45.227
bonds (distance) P-C4' energy: -40.694
flat angles C4'-P-C4' energy: -30.667
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -19.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -208.379527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.379527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.379527 (E_RNA)
where:
Base-Base interactions energy: -79.653
where: short stacking energy: -78.896
Base-Backbone interact. energy: -0.504
local terms energy: -128.222352
where:
bonds (distance) C4'-P energy: -32.151
bonds (distance) P-C4' energy: -38.535
flat angles C4'-P-C4' energy: -32.015
flat angles P-C4'-P energy: -21.185
tors. eta vs tors. theta energy: -4.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -192.585935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.585935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.585935 (E_RNA)
where:
Base-Base interactions energy: -72.659
where: short stacking energy: -46.720
Base-Backbone interact. energy: 0.530
local terms energy: -120.456961
where:
bonds (distance) C4'-P energy: -34.328
bonds (distance) P-C4' energy: -42.378
flat angles C4'-P-C4' energy: -28.957
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: 3.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -210.447741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.447741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.447741 (E_RNA)
where:
Base-Base interactions energy: -89.165
where: short stacking energy: -75.826
Base-Backbone interact. energy: 1.435
local terms energy: -122.716980
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -30.167
flat angles C4'-P-C4' energy: -35.127
flat angles P-C4'-P energy: -18.909
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -647.333692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.333692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.333692 (E_RNA)
where:
Base-Base interactions energy: -417.031
where: short stacking energy: -207.193
Base-Backbone interact. energy: -0.004
local terms energy: -230.298677
where:
bonds (distance) C4'-P energy: -42.028
bonds (distance) P-C4' energy: -47.579
flat angles C4'-P-C4' energy: -48.459
flat angles P-C4'-P energy: -28.916
tors. eta vs tors. theta energy: -63.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -594.284449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.284449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.284449 (E_RNA)
where:
Base-Base interactions energy: -388.197
where: short stacking energy: -162.720
Base-Backbone interact. energy: 0.439
local terms energy: -206.527374
where:
bonds (distance) C4'-P energy: -44.271
bonds (distance) P-C4' energy: -41.214
flat angles C4'-P-C4' energy: -43.425
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: -48.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -581.839699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.839699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.839699 (E_RNA)
where:
Base-Base interactions energy: -376.745
where: short stacking energy: -170.600
Base-Backbone interact. energy: -1.043
local terms energy: -204.051842
where:
bonds (distance) C4'-P energy: -42.876
bonds (distance) P-C4' energy: -40.566
flat angles C4'-P-C4' energy: -41.924
flat angles P-C4'-P energy: -30.318
tors. eta vs tors. theta energy: -48.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -531.405083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.405083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.405083 (E_RNA)
where:
Base-Base interactions energy: -326.827
where: short stacking energy: -159.184
Base-Backbone interact. energy: -0.811
local terms energy: -203.767743
where:
bonds (distance) C4'-P energy: -42.293
bonds (distance) P-C4' energy: -44.699
flat angles C4'-P-C4' energy: -46.895
flat angles P-C4'-P energy: -27.195
tors. eta vs tors. theta energy: -42.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -518.480319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.480319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.480319 (E_RNA)
where:
Base-Base interactions energy: -319.102
where: short stacking energy: -144.985
Base-Backbone interact. energy: -0.658
local terms energy: -198.720323
where:
bonds (distance) C4'-P energy: -41.389
bonds (distance) P-C4' energy: -39.674
flat angles C4'-P-C4' energy: -40.229
flat angles P-C4'-P energy: -31.394
tors. eta vs tors. theta energy: -46.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -422.615009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.615009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.615009 (E_RNA)
where:
Base-Base interactions energy: -235.198
where: short stacking energy: -114.636
Base-Backbone interact. energy: 2.093
local terms energy: -189.510314
where:
bonds (distance) C4'-P energy: -43.120
bonds (distance) P-C4' energy: -44.225
flat angles C4'-P-C4' energy: -42.190
flat angles P-C4'-P energy: -36.058
tors. eta vs tors. theta energy: -23.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -250.981252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.981252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.981252 (E_RNA)
where:
Base-Base interactions energy: -100.679
where: short stacking energy: -73.484
Base-Backbone interact. energy: 0.709
local terms energy: -151.011285
where:
bonds (distance) C4'-P energy: -47.356
bonds (distance) P-C4' energy: -43.346
flat angles C4'-P-C4' energy: -29.797
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -278.491972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.491972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.491972 (E_RNA)
where:
Base-Base interactions energy: -153.793
where: short stacking energy: -98.783
Base-Backbone interact. energy: -2.476
local terms energy: -122.223054
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -28.009
flat angles C4'-P-C4' energy: -32.077
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -17.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -204.322648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.322648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.322648 (E_RNA)
where:
Base-Base interactions energy: -76.024
where: short stacking energy: -64.801
Base-Backbone interact. energy: 0.659
local terms energy: -128.957930
where:
bonds (distance) C4'-P energy: -33.033
bonds (distance) P-C4' energy: -35.340
flat angles C4'-P-C4' energy: -26.193
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -181.554913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.554913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.554913 (E_RNA)
where:
Base-Base interactions energy: -57.889
where: short stacking energy: -45.286
Base-Backbone interact. energy: 1.203
local terms energy: -124.868968
where:
bonds (distance) C4'-P energy: -41.923
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -30.431
flat angles P-C4'-P energy: -24.095
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -636.048983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.048983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.048983 (E_RNA)
where:
Base-Base interactions energy: -422.489
where: short stacking energy: -204.373
Base-Backbone interact. energy: -0.072
local terms energy: -213.488522
where:
bonds (distance) C4'-P energy: -37.252
bonds (distance) P-C4' energy: -43.554
flat angles C4'-P-C4' energy: -52.109
flat angles P-C4'-P energy: -26.696
tors. eta vs tors. theta energy: -53.878
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: 3
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -584.494498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.494498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.494498 (E_RNA)
where:
Base-Base interactions energy: -365.631
where: short stacking energy: -174.822
Base-Backbone interact. energy: -0.411
local terms energy: -218.452707
where:
bonds (distance) C4'-P energy: -44.201
bonds (distance) P-C4' energy: -44.746
flat angles C4'-P-C4' energy: -51.671
flat angles P-C4'-P energy: -25.636
tors. eta vs tors. theta energy: -52.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -574.009247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.009247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.009247 (E_RNA)
where:
Base-Base interactions energy: -370.213
where: short stacking energy: -184.297
Base-Backbone interact. energy: -0.209
local terms energy: -203.586979
where:
bonds (distance) C4'-P energy: -37.216
bonds (distance) P-C4' energy: -41.083
flat angles C4'-P-C4' energy: -45.747
flat angles P-C4'-P energy: -32.201
tors. eta vs tors. theta energy: -47.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -523.466700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.466700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.466700 (E_RNA)
where:
Base-Base interactions energy: -322.988
where: short stacking energy: -163.017
Base-Backbone interact. energy: -0.438
local terms energy: -200.041058
where:
bonds (distance) C4'-P energy: -39.311
bonds (distance) P-C4' energy: -37.519
flat angles C4'-P-C4' energy: -39.835
flat angles P-C4'-P energy: -33.506
tors. eta vs tors. theta energy: -49.871
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: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -519.323521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.323521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.323521 (E_RNA)
where:
Base-Base interactions energy: -328.566
where: short stacking energy: -150.305
Base-Backbone interact. energy: 0.465
local terms energy: -191.222726
where:
bonds (distance) C4'-P energy: -39.579
bonds (distance) P-C4' energy: -42.746
flat angles C4'-P-C4' energy: -40.265
flat angles P-C4'-P energy: -29.940
tors. eta vs tors. theta energy: -38.691
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: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -377.053543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.053543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.053543 (E_RNA)
where:
Base-Base interactions energy: -217.593
where: short stacking energy: -115.868
Base-Backbone interact. energy: -1.149
local terms energy: -158.311545
where:
bonds (distance) C4'-P energy: -36.162
bonds (distance) P-C4' energy: -44.348
flat angles C4'-P-C4' energy: -40.929
flat angles P-C4'-P energy: -21.117
tors. eta vs tors. theta energy: -15.755
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: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -231.525374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.525374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.525374 (E_RNA)
where:
Base-Base interactions energy: -75.123
where: short stacking energy: -71.643
Base-Backbone interact. energy: -0.583
local terms energy: -155.818419
where:
bonds (distance) C4'-P energy: -42.680
bonds (distance) P-C4' energy: -37.679
flat angles C4'-P-C4' energy: -41.787
flat angles P-C4'-P energy: -28.748
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: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -300.911818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.911818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.911818 (E_RNA)
where:
Base-Base interactions energy: -156.024
where: short stacking energy: -95.990
Base-Backbone interact. energy: -0.173
local terms energy: -144.715397
where:
bonds (distance) C4'-P energy: -34.660
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -31.751
flat angles P-C4'-P energy: -25.649
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: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -184.733176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.733176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.733176 (E_RNA)
where:
Base-Base interactions energy: -54.755
where: short stacking energy: -52.360
Base-Backbone interact. energy: -0.481
local terms energy: -129.496552
where:
bonds (distance) C4'-P energy: -43.295
bonds (distance) P-C4' energy: -32.169
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -177.425087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.425087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.425087 (E_RNA)
where:
Base-Base interactions energy: -56.219
where: short stacking energy: -41.121
Base-Backbone interact. energy: -0.471
local terms energy: -120.734563
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -45.344
flat angles C4'-P-C4' energy: -28.351
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: 4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -636.262078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.262078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.262078 (E_RNA)
where:
Base-Base interactions energy: -411.662
where: short stacking energy: -199.808
Base-Backbone interact. energy: -0.297
local terms energy: -224.302349
where:
bonds (distance) C4'-P energy: -47.347
bonds (distance) P-C4' energy: -45.016
flat angles C4'-P-C4' energy: -37.785
flat angles P-C4'-P energy: -36.378
tors. eta vs tors. theta energy: -57.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -590.739487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.739487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.739487 (E_RNA)
where:
Base-Base interactions energy: -372.295
where: short stacking energy: -160.202
Base-Backbone interact. energy: -0.184
local terms energy: -218.261015
where:
bonds (distance) C4'-P energy: -45.686
bonds (distance) P-C4' energy: -44.044
flat angles C4'-P-C4' energy: -46.067
flat angles P-C4'-P energy: -32.656
tors. eta vs tors. theta energy: -49.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -577.240769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.240769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.240769 (E_RNA)
where:
Base-Base interactions energy: -371.298
where: short stacking energy: -173.511
Base-Backbone interact. energy: 3.213
local terms energy: -209.155650
where:
bonds (distance) C4'-P energy: -40.729
bonds (distance) P-C4' energy: -43.454
flat angles C4'-P-C4' energy: -44.086
flat angles P-C4'-P energy: -30.649
tors. eta vs tors. theta energy: -50.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -513.080743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.080743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.080743 (E_RNA)
where:
Base-Base interactions energy: -305.496
where: short stacking energy: -146.356
Base-Backbone interact. energy: -0.884
local terms energy: -206.700549
where:
bonds (distance) C4'-P energy: -36.802
bonds (distance) P-C4' energy: -49.532
flat angles C4'-P-C4' energy: -44.152
flat angles P-C4'-P energy: -37.249
tors. eta vs tors. theta energy: -38.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -512.554358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.554358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.554358 (E_RNA)
where:
Base-Base interactions energy: -326.953
where: short stacking energy: -150.232
Base-Backbone interact. energy: 0.084
local terms energy: -185.685567
where:
bonds (distance) C4'-P energy: -36.454
bonds (distance) P-C4' energy: -42.652
flat angles C4'-P-C4' energy: -42.463
flat angles P-C4'-P energy: -22.364
tors. eta vs tors. theta energy: -41.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -437.037575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.037575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.037575 (E_RNA)
where:
Base-Base interactions energy: -266.257
where: short stacking energy: -119.603
Base-Backbone interact. energy: -0.584
local terms energy: -170.196310
where:
bonds (distance) C4'-P energy: -29.756
bonds (distance) P-C4' energy: -44.885
flat angles C4'-P-C4' energy: -43.429
flat angles P-C4'-P energy: -28.892
tors. eta vs tors. theta energy: -23.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -298.823840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.823840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.823840 (E_RNA)
where:
Base-Base interactions energy: -150.608
where: short stacking energy: -85.751
Base-Backbone interact. energy: -1.003
local terms energy: -147.213307
where:
bonds (distance) C4'-P energy: -36.171
bonds (distance) P-C4' energy: -45.182
flat angles C4'-P-C4' energy: -37.285
flat angles P-C4'-P energy: -25.786
tors. eta vs tors. theta energy: -2.789
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: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -211.217737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.217737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.217737 (E_RNA)
where:
Base-Base interactions energy: -74.065
where: short stacking energy: -65.645
Base-Backbone interact. energy: 0.832
local terms energy: -137.984282
where:
bonds (distance) C4'-P energy: -40.802
bonds (distance) P-C4' energy: -36.136
flat angles C4'-P-C4' energy: -35.807
flat angles P-C4'-P energy: -22.404
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: 10
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -201.846898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.846898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.846898 (E_RNA)
where:
Base-Base interactions energy: -80.868
where: short stacking energy: -65.493
Base-Backbone interact. energy: 0.007
local terms energy: -120.986184
where:
bonds (distance) C4'-P energy: -35.440
bonds (distance) P-C4' energy: -40.401
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -17.407
tors. eta vs tors. theta energy: 2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -179.103363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.103363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.103363 (E_RNA)
where:
Base-Base interactions energy: -62.033
where: short stacking energy: -50.606
Base-Backbone interact. energy: 0.224
local terms energy: -117.294624
where:
bonds (distance) C4'-P energy: -27.355
bonds (distance) P-C4' energy: -40.083
flat angles C4'-P-C4' energy: -37.451
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: 9.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -640.693630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.693630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.693630 (E_RNA)
where:
Base-Base interactions energy: -418.094
where: short stacking energy: -197.272
Base-Backbone interact. energy: -0.406
local terms energy: -222.193275
where:
bonds (distance) C4'-P energy: -44.057
bonds (distance) P-C4' energy: -41.260
flat angles C4'-P-C4' energy: -43.376
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -60.628
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: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -587.117821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.117821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.117821 (E_RNA)
where:
Base-Base interactions energy: -368.985
where: short stacking energy: -171.493
Base-Backbone interact. energy: -1.081
local terms energy: -217.051926
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -41.214
flat angles C4'-P-C4' energy: -47.345
flat angles P-C4'-P energy: -36.546
tors. eta vs tors. theta energy: -47.445
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: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -592.357359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.357359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.357359 (E_RNA)
where:
Base-Base interactions energy: -379.686
where: short stacking energy: -171.463
Base-Backbone interact. energy: -0.192
local terms energy: -212.479396
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -37.161
flat angles C4'-P-C4' energy: -46.157
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: -53.303
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: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -507.171355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.171355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.171355 (E_RNA)
where:
Base-Base interactions energy: -312.499
where: short stacking energy: -153.017
Base-Backbone interact. energy: -0.596
local terms energy: -194.076176
where:
bonds (distance) C4'-P energy: -42.624
bonds (distance) P-C4' energy: -35.329
flat angles C4'-P-C4' energy: -43.339
flat angles P-C4'-P energy: -31.026
tors. eta vs tors. theta energy: -41.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -493.407487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.407487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.407487 (E_RNA)
where:
Base-Base interactions energy: -306.345
where: short stacking energy: -142.378
Base-Backbone interact. energy: -0.254
local terms energy: -186.808673
where:
bonds (distance) C4'-P energy: -42.729
bonds (distance) P-C4' energy: -33.333
flat angles C4'-P-C4' energy: -43.696
flat angles P-C4'-P energy: -33.017
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: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -396.480539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.480539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.480539 (E_RNA)
where:
Base-Base interactions energy: -239.925
where: short stacking energy: -113.219
Base-Backbone interact. energy: -0.273
local terms energy: -156.282628
where:
bonds (distance) C4'-P energy: -36.851
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -42.724
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -17.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -303.457299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.457299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.457299 (E_RNA)
where:
Base-Base interactions energy: -156.702
where: short stacking energy: -103.914
Base-Backbone interact. energy: -0.374
local terms energy: -146.380805
where:
bonds (distance) C4'-P energy: -33.996
bonds (distance) P-C4' energy: -46.326
flat angles C4'-P-C4' energy: -33.549
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -230.562054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.562054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.562054 (E_RNA)
where:
Base-Base interactions energy: -103.861
where: short stacking energy: -66.776
Base-Backbone interact. energy: -1.290
local terms energy: -125.410893
where:
bonds (distance) C4'-P energy: -41.213
bonds (distance) P-C4' energy: -35.406
flat angles C4'-P-C4' energy: -32.474
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -4.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -200.797648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.797648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.797648 (E_RNA)
where:
Base-Base interactions energy: -75.483
where: short stacking energy: -64.018
Base-Backbone interact. energy: 1.190
local terms energy: -126.504145
where:
bonds (distance) C4'-P energy: -35.038
bonds (distance) P-C4' energy: -35.635
flat angles C4'-P-C4' energy: -30.180
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: 3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -184.219510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.219510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.219510 (E_RNA)
where:
Base-Base interactions energy: -72.532
where: short stacking energy: -57.072
Base-Backbone interact. energy: -0.036
local terms energy: -111.651803
where:
bonds (distance) C4'-P energy: -35.258
bonds (distance) P-C4' energy: -28.511
flat angles C4'-P-C4' energy: -33.814
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: 10.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -634.360306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.360306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.360306 (E_RNA)
where:
Base-Base interactions energy: -417.172
where: short stacking energy: -213.367
Base-Backbone interact. energy: -0.422
local terms energy: -216.766497
where:
bonds (distance) C4'-P energy: -34.588
bonds (distance) P-C4' energy: -38.945
flat angles C4'-P-C4' energy: -52.191
flat angles P-C4'-P energy: -32.019
tors. eta vs tors. theta energy: -59.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -569.539204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.539204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.539204 (E_RNA)
where:
Base-Base interactions energy: -367.513
where: short stacking energy: -170.811
Base-Backbone interact. energy: 2.261
local terms energy: -204.287172
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -44.168
flat angles C4'-P-C4' energy: -46.265
flat angles P-C4'-P energy: -21.962
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: 3, replica: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -542.929305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.929305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.929305 (E_RNA)
where:
Base-Base interactions energy: -359.377
where: short stacking energy: -156.012
Base-Backbone interact. energy: -0.806
local terms energy: -182.746925
where:
bonds (distance) C4'-P energy: -37.077
bonds (distance) P-C4' energy: -46.149
flat angles C4'-P-C4' energy: -41.406
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -34.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -536.814714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.814714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.814714 (E_RNA)
where:
Base-Base interactions energy: -330.706
where: short stacking energy: -171.164
Base-Backbone interact. energy: -0.288
local terms energy: -205.820719
where:
bonds (distance) C4'-P energy: -38.024
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -44.430
flat angles P-C4'-P energy: -29.114
tors. eta vs tors. theta energy: -48.817
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: 9
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -403.114524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.114524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.114524 (E_RNA)
where:
Base-Base interactions energy: -223.496
where: short stacking energy: -123.143
Base-Backbone interact. energy: 0.466
local terms energy: -180.084740
where:
bonds (distance) C4'-P energy: -45.520
bonds (distance) P-C4' energy: -33.621
flat angles C4'-P-C4' energy: -41.878
flat angles P-C4'-P energy: -30.286
tors. eta vs tors. theta energy: -28.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -458.776514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.776514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.776514 (E_RNA)
where:
Base-Base interactions energy: -293.714
where: short stacking energy: -130.009
Base-Backbone interact. energy: 0.921
local terms energy: -165.983720
where:
bonds (distance) C4'-P energy: -40.918
bonds (distance) P-C4' energy: -40.474
flat angles C4'-P-C4' energy: -39.355
flat angles P-C4'-P energy: -21.662
tors. eta vs tors. theta energy: -23.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -296.854008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.854008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.854008 (E_RNA)
where:
Base-Base interactions energy: -148.549
where: short stacking energy: -86.564
Base-Backbone interact. energy: -0.240
local terms energy: -148.064793
where:
bonds (distance) C4'-P energy: -39.430
bonds (distance) P-C4' energy: -37.632
flat angles C4'-P-C4' energy: -34.136
flat angles P-C4'-P energy: -29.438
tors. eta vs tors. theta energy: -7.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -264.843683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.843683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.843683 (E_RNA)
where:
Base-Base interactions energy: -117.479
where: short stacking energy: -85.024
Base-Backbone interact. energy: 0.986
local terms energy: -148.350502
where:
bonds (distance) C4'-P energy: -37.073
bonds (distance) P-C4' energy: -40.153
flat angles C4'-P-C4' energy: -34.585
flat angles P-C4'-P energy: -24.151
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -197.880410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.880410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.880410 (E_RNA)
where:
Base-Base interactions energy: -67.267
where: short stacking energy: -57.745
Base-Backbone interact. energy: 0.015
local terms energy: -130.628334
where:
bonds (distance) C4'-P energy: -34.565
bonds (distance) P-C4' energy: -39.824
flat angles C4'-P-C4' energy: -33.940
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -188.213201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.213201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.213201 (E_RNA)
where:
Base-Base interactions energy: -71.290
where: short stacking energy: -60.851
Base-Backbone interact. energy: -0.028
local terms energy: -116.895136
where:
bonds (distance) C4'-P energy: -36.347
bonds (distance) P-C4' energy: -34.268
flat angles C4'-P-C4' energy: -30.923
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: 1.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -648.388220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.388220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.388220 (E_RNA)
where:
Base-Base interactions energy: -416.935
where: short stacking energy: -207.883
Base-Backbone interact. energy: -0.188
local terms energy: -231.265223
where:
bonds (distance) C4'-P energy: -43.110
bonds (distance) P-C4' energy: -42.372
flat angles C4'-P-C4' energy: -44.665
flat angles P-C4'-P energy: -35.332
tors. eta vs tors. theta energy: -65.786
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: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -564.095042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.095042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.095042 (E_RNA)
where:
Base-Base interactions energy: -353.467
where: short stacking energy: -160.420
Base-Backbone interact. energy: -0.418
local terms energy: -210.210017
where:
bonds (distance) C4'-P energy: -35.888
bonds (distance) P-C4' energy: -49.071
flat angles C4'-P-C4' energy: -49.743
flat angles P-C4'-P energy: -32.362
tors. eta vs tors. theta energy: -43.146
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: 3
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -561.004087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.004087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.004087 (E_RNA)
where:
Base-Base interactions energy: -363.768
where: short stacking energy: -162.689
Base-Backbone interact. energy: 0.707
local terms energy: -197.942746
where:
bonds (distance) C4'-P energy: -38.337
bonds (distance) P-C4' energy: -39.041
flat angles C4'-P-C4' energy: -45.360
flat angles P-C4'-P energy: -30.338
tors. eta vs tors. theta energy: -44.867
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: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -517.657968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.657968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.657968 (E_RNA)
where:
Base-Base interactions energy: -319.830
where: short stacking energy: -158.474
Base-Backbone interact. energy: 0.334
local terms energy: -198.162293
where:
bonds (distance) C4'-P energy: -37.389
bonds (distance) P-C4' energy: -43.156
flat angles C4'-P-C4' energy: -39.341
flat angles P-C4'-P energy: -34.577
tors. eta vs tors. theta energy: -43.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -459.657817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.657817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.657817 (E_RNA)
where:
Base-Base interactions energy: -293.551
where: short stacking energy: -128.174
Base-Backbone interact. energy: -0.670
local terms energy: -165.437492
where:
bonds (distance) C4'-P energy: -36.429
bonds (distance) P-C4' energy: -45.818
flat angles C4'-P-C4' energy: -27.789
flat angles P-C4'-P energy: -26.700
tors. eta vs tors. theta energy: -28.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -424.414426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.414426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.414426 (E_RNA)
where:
Base-Base interactions energy: -252.232
where: short stacking energy: -112.501
Base-Backbone interact. energy: -0.180
local terms energy: -172.003039
where:
bonds (distance) C4'-P energy: -42.952
bonds (distance) P-C4' energy: -41.766
flat angles C4'-P-C4' energy: -39.785
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -311.936327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.936327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.936327 (E_RNA)
where:
Base-Base interactions energy: -149.570
where: short stacking energy: -91.960
Base-Backbone interact. energy: 0.727
local terms energy: -163.093323
where:
bonds (distance) C4'-P energy: -40.859
bonds (distance) P-C4' energy: -43.921
flat angles C4'-P-C4' energy: -35.282
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -199.314957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.314957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.314957 (E_RNA)
where:
Base-Base interactions energy: -64.948
where: short stacking energy: -48.419
Base-Backbone interact. energy: 0.545
local terms energy: -134.911490
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -45.720
flat angles C4'-P-C4' energy: -27.203
flat angles P-C4'-P energy: -20.674
tors. eta vs tors. theta energy: 2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -187.745419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.745419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.745419 (E_RNA)
where:
Base-Base interactions energy: -69.726
where: short stacking energy: -64.248
Base-Backbone interact. energy: 1.982
local terms energy: -120.001545
where:
bonds (distance) C4'-P energy: -36.726
bonds (distance) P-C4' energy: -37.157
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -24.076
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -175.379806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.379806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.379806 (E_RNA)
where:
Base-Base interactions energy: -54.440
where: short stacking energy: -32.111
Base-Backbone interact. energy: 0.394
local terms energy: -121.333682
where:
bonds (distance) C4'-P energy: -35.659
bonds (distance) P-C4' energy: -38.437
flat angles C4'-P-C4' energy: -38.545
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: 7.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -635.375245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.375245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.375245 (E_RNA)
where:
Base-Base interactions energy: -415.434
where: short stacking energy: -205.052
Base-Backbone interact. energy: -0.952
local terms energy: -218.988716
where:
bonds (distance) C4'-P energy: -41.402
bonds (distance) P-C4' energy: -38.362
flat angles C4'-P-C4' energy: -46.095
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -60.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -567.702601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.702601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.702601 (E_RNA)
where:
Base-Base interactions energy: -357.906
where: short stacking energy: -187.895
Base-Backbone interact. energy: 0.735
local terms energy: -210.532420
where:
bonds (distance) C4'-P energy: -38.855
bonds (distance) P-C4' energy: -45.862
flat angles C4'-P-C4' energy: -47.695
flat angles P-C4'-P energy: -23.831
tors. eta vs tors. theta energy: -54.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -564.105970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.105970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.105970 (E_RNA)
where:
Base-Base interactions energy: -367.408
where: short stacking energy: -158.345
Base-Backbone interact. energy: 0.574
local terms energy: -197.272461
where:
bonds (distance) C4'-P energy: -30.831
bonds (distance) P-C4' energy: -45.167
flat angles C4'-P-C4' energy: -45.359
flat angles P-C4'-P energy: -29.502
tors. eta vs tors. theta energy: -46.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -510.990024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.990024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.990024 (E_RNA)
where:
Base-Base interactions energy: -334.998
where: short stacking energy: -171.768
Base-Backbone interact. energy: -0.333
local terms energy: -175.658809
where:
bonds (distance) C4'-P energy: -33.841
bonds (distance) P-C4' energy: -38.706
flat angles C4'-P-C4' energy: -39.057
flat angles P-C4'-P energy: -24.431
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: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -426.772585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.772585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.772585 (E_RNA)
where:
Base-Base interactions energy: -270.822
where: short stacking energy: -137.105
Base-Backbone interact. energy: -0.528
local terms energy: -155.422171
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -28.793
flat angles C4'-P-C4' energy: -31.725
flat angles P-C4'-P energy: -30.409
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: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -439.298271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.298271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.298271 (E_RNA)
where:
Base-Base interactions energy: -265.027
where: short stacking energy: -127.720
Base-Backbone interact. energy: 1.221
local terms energy: -175.492216
where:
bonds (distance) C4'-P energy: -31.717
bonds (distance) P-C4' energy: -46.697
flat angles C4'-P-C4' energy: -40.076
flat angles P-C4'-P energy: -18.162
tors. eta vs tors. theta energy: -38.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -301.871814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.871814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.871814 (E_RNA)
where:
Base-Base interactions energy: -151.265
where: short stacking energy: -75.279
Base-Backbone interact. energy: -0.450
local terms energy: -150.156962
where:
bonds (distance) C4'-P energy: -34.112
bonds (distance) P-C4' energy: -37.346
flat angles C4'-P-C4' energy: -42.459
flat angles P-C4'-P energy: -22.437
tors. eta vs tors. theta energy: -13.803
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: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -230.131530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.131530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.131530 (E_RNA)
where:
Base-Base interactions energy: -109.574
where: short stacking energy: -71.061
Base-Backbone interact. energy: -0.494
local terms energy: -120.063721
where:
bonds (distance) C4'-P energy: -30.553
bonds (distance) P-C4' energy: -43.448
flat angles C4'-P-C4' energy: -32.889
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -4.622
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: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -198.165100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.165100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.165100 (E_RNA)
where:
Base-Base interactions energy: -63.078
where: short stacking energy: -57.568
Base-Backbone interact. energy: -0.515
local terms energy: -134.572114
where:
bonds (distance) C4'-P energy: -37.073
bonds (distance) P-C4' energy: -38.008
flat angles C4'-P-C4' energy: -34.711
flat angles P-C4'-P energy: -24.376
tors. eta vs tors. theta energy: -0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -191.792963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.792963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.792963 (E_RNA)
where:
Base-Base interactions energy: -82.813
where: short stacking energy: -63.286
Base-Backbone interact. energy: -0.867
local terms energy: -108.112897
where:
bonds (distance) C4'-P energy: -37.135
bonds (distance) P-C4' energy: -41.184
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -6.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -634.749094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.749094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.749094 (E_RNA)
where:
Base-Base interactions energy: -424.628
where: short stacking energy: -212.878
Base-Backbone interact. energy: -0.321
local terms energy: -209.800776
where:
bonds (distance) C4'-P energy: -38.666
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -39.923
flat angles P-C4'-P energy: -31.456
tors. eta vs tors. theta energy: -59.764
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: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -575.294340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.294340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.294340 (E_RNA)
where:
Base-Base interactions energy: -386.354
where: short stacking energy: -166.155
Base-Backbone interact. energy: 0.170
local terms energy: -189.110767
where:
bonds (distance) C4'-P energy: -37.795
bonds (distance) P-C4' energy: -40.457
flat angles C4'-P-C4' energy: -41.237
flat angles P-C4'-P energy: -25.362
tors. eta vs tors. theta energy: -44.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -555.833194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.833194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.833194 (E_RNA)
where:
Base-Base interactions energy: -367.329
where: short stacking energy: -177.688
Base-Backbone interact. energy: 2.385
local terms energy: -190.888604
where:
bonds (distance) C4'-P energy: -37.652
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -48.901
flat angles P-C4'-P energy: -29.489
tors. eta vs tors. theta energy: -45.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -491.583484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.583484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.583484 (E_RNA)
where:
Base-Base interactions energy: -326.704
where: short stacking energy: -129.502
Base-Backbone interact. energy: 2.114
local terms energy: -166.994126
where:
bonds (distance) C4'-P energy: -37.195
bonds (distance) P-C4' energy: -40.823
flat angles C4'-P-C4' energy: -38.890
flat angles P-C4'-P energy: -18.406
tors. eta vs tors. theta energy: -31.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -448.893573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.893573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.893573 (E_RNA)
where:
Base-Base interactions energy: -261.225
where: short stacking energy: -145.236
Base-Backbone interact. energy: -1.057
local terms energy: -186.610636
where:
bonds (distance) C4'-P energy: -38.442
bonds (distance) P-C4' energy: -43.627
flat angles C4'-P-C4' energy: -39.916
flat angles P-C4'-P energy: -29.786
tors. eta vs tors. theta energy: -34.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -415.279923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.279923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.279923 (E_RNA)
where:
Base-Base interactions energy: -245.075
where: short stacking energy: -124.624
Base-Backbone interact. energy: 0.332
local terms energy: -170.537031
where:
bonds (distance) C4'-P energy: -38.285
bonds (distance) P-C4' energy: -41.763
flat angles C4'-P-C4' energy: -38.241
flat angles P-C4'-P energy: -23.601
tors. eta vs tors. theta energy: -28.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -309.376710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.376710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.376710 (E_RNA)
where:
Base-Base interactions energy: -163.535
where: short stacking energy: -89.390
Base-Backbone interact. energy: -1.306
local terms energy: -144.534945
where:
bonds (distance) C4'-P energy: -31.129
bonds (distance) P-C4' energy: -43.224
flat angles C4'-P-C4' energy: -30.597
flat angles P-C4'-P energy: -25.693
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -212.454346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.454346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.454346 (E_RNA)
where:
Base-Base interactions energy: -85.866
where: short stacking energy: -51.559
Base-Backbone interact. energy: 2.676
local terms energy: -129.264812
where:
bonds (distance) C4'-P energy: -35.013
bonds (distance) P-C4' energy: -42.867
flat angles C4'-P-C4' energy: -39.254
flat angles P-C4'-P energy: -21.359
tors. eta vs tors. theta energy: 9.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -196.101720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.101720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.101720 (E_RNA)
where:
Base-Base interactions energy: -73.351
where: short stacking energy: -58.697
Base-Backbone interact. energy: -0.787
local terms energy: -121.963316
where:
bonds (distance) C4'-P energy: -37.116
bonds (distance) P-C4' energy: -35.398
flat angles C4'-P-C4' energy: -37.094
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -0.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -169.710327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.710327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.710327 (E_RNA)
where:
Base-Base interactions energy: -55.511
where: short stacking energy: -48.925
Base-Backbone interact. energy: -1.118
local terms energy: -113.081568
where:
bonds (distance) C4'-P energy: -41.079
bonds (distance) P-C4' energy: -35.400
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -17.013
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: 5
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -639.167841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.167841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.167841 (E_RNA)
where:
Base-Base interactions energy: -412.051
where: short stacking energy: -207.195
Base-Backbone interact. energy: -0.964
local terms energy: -226.152112
where:
bonds (distance) C4'-P energy: -43.478
bonds (distance) P-C4' energy: -44.831
flat angles C4'-P-C4' energy: -48.150
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -65.015
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: 88
Temperature: 0.950000
Total energy: -586.408923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.408923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.408923 (E_RNA)
where:
Base-Base interactions energy: -384.127
where: short stacking energy: -183.318
Base-Backbone interact. energy: -1.126
local terms energy: -201.156695
where:
bonds (distance) C4'-P energy: -37.453
bonds (distance) P-C4' energy: -39.487
flat angles C4'-P-C4' energy: -44.433
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: -56.531
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: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -569.260455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.260455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.260455 (E_RNA)
where:
Base-Base interactions energy: -351.269
where: short stacking energy: -166.003
Base-Backbone interact. energy: 0.822
local terms energy: -218.813214
where:
bonds (distance) C4'-P energy: -45.541
bonds (distance) P-C4' energy: -48.866
flat angles C4'-P-C4' energy: -49.725
flat angles P-C4'-P energy: -30.100
tors. eta vs tors. theta energy: -44.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -523.587077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.587077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.587077 (E_RNA)
where:
Base-Base interactions energy: -327.855
where: short stacking energy: -162.663
Base-Backbone interact. energy: 0.314
local terms energy: -196.046683
where:
bonds (distance) C4'-P energy: -39.638
bonds (distance) P-C4' energy: -41.453
flat angles C4'-P-C4' energy: -43.347
flat angles P-C4'-P energy: -22.885
tors. eta vs tors. theta energy: -48.724
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: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -437.634347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.634347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.634347 (E_RNA)
where:
Base-Base interactions energy: -263.288
where: short stacking energy: -128.718
Base-Backbone interact. energy: 0.944
local terms energy: -175.290607
where:
bonds (distance) C4'-P energy: -40.839
bonds (distance) P-C4' energy: -44.202
flat angles C4'-P-C4' energy: -35.590
flat angles P-C4'-P energy: -20.665
tors. eta vs tors. theta energy: -33.993
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: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -444.556124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.556124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.556124 (E_RNA)
where:
Base-Base interactions energy: -266.025
where: short stacking energy: -135.967
Base-Backbone interact. energy: 0.598
local terms energy: -179.128804
where:
bonds (distance) C4'-P energy: -33.969
bonds (distance) P-C4' energy: -46.592
flat angles C4'-P-C4' energy: -46.515
flat angles P-C4'-P energy: -23.560
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: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -303.421977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.421977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.421977 (E_RNA)
where:
Base-Base interactions energy: -166.057
where: short stacking energy: -90.919
Base-Backbone interact. energy: -1.048
local terms energy: -136.316703
where:
bonds (distance) C4'-P energy: -36.608
bonds (distance) P-C4' energy: -29.097
flat angles C4'-P-C4' energy: -33.699
flat angles P-C4'-P energy: -22.118
tors. eta vs tors. theta energy: -14.795
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: 88
Temperature: 1.250000
Total energy: -203.329272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.329272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.329272 (E_RNA)
where:
Base-Base interactions energy: -75.475
where: short stacking energy: -65.041
Base-Backbone interact. energy: 0.450
local terms energy: -128.304722
where:
bonds (distance) C4'-P energy: -41.374
bonds (distance) P-C4' energy: -39.540
flat angles C4'-P-C4' energy: -25.676
flat angles P-C4'-P energy: -22.402
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: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -200.964263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.964263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.964263 (E_RNA)
where:
Base-Base interactions energy: -72.511
where: short stacking energy: -64.192
Base-Backbone interact. energy: 1.907
local terms energy: -130.359424
where:
bonds (distance) C4'-P energy: -29.320
bonds (distance) P-C4' energy: -35.200
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -29.885
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -187.195411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.195411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.195411 (E_RNA)
where:
Base-Base interactions energy: -59.078
where: short stacking energy: -59.382
Base-Backbone interact. energy: 2.981
local terms energy: -131.099091
where:
bonds (distance) C4'-P energy: -37.028
bonds (distance) P-C4' energy: -34.660
flat angles C4'-P-C4' energy: -28.428
flat angles P-C4'-P energy: -27.698
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -637.624002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.624002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.624002 (E_RNA)
where:
Base-Base interactions energy: -404.807
where: short stacking energy: -204.790
Base-Backbone interact. energy: -0.783
local terms energy: -232.033455
where:
bonds (distance) C4'-P energy: -48.444
bonds (distance) P-C4' energy: -40.292
flat angles C4'-P-C4' energy: -42.245
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -66.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -569.603900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.603900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.603900 (E_RNA)
where:
Base-Base interactions energy: -370.200
where: short stacking energy: -161.057
Base-Backbone interact. energy: -0.427
local terms energy: -198.976705
where:
bonds (distance) C4'-P energy: -42.859
bonds (distance) P-C4' energy: -39.067
flat angles C4'-P-C4' energy: -45.395
flat angles P-C4'-P energy: -27.729
tors. eta vs tors. theta energy: -43.927
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: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -565.277119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.277119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.277119 (E_RNA)
where:
Base-Base interactions energy: -364.105
where: short stacking energy: -164.670
Base-Backbone interact. energy: -1.441
local terms energy: -199.731605
where:
bonds (distance) C4'-P energy: -33.715
bonds (distance) P-C4' energy: -46.473
flat angles C4'-P-C4' energy: -50.974
flat angles P-C4'-P energy: -24.205
tors. eta vs tors. theta energy: -44.366
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: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -497.059018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.059018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.059018 (E_RNA)
where:
Base-Base interactions energy: -307.897
where: short stacking energy: -132.855
Base-Backbone interact. energy: -0.622
local terms energy: -188.539683
where:
bonds (distance) C4'-P energy: -37.017
bonds (distance) P-C4' energy: -41.011
flat angles C4'-P-C4' energy: -49.131
flat angles P-C4'-P energy: -26.843
tors. eta vs tors. theta energy: -34.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -459.234874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.234874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.234874 (E_RNA)
where:
Base-Base interactions energy: -278.226
where: short stacking energy: -151.399
Base-Backbone interact. energy: -0.181
local terms energy: -180.827565
where:
bonds (distance) C4'-P energy: -38.056
bonds (distance) P-C4' energy: -35.700
flat angles C4'-P-C4' energy: -43.645
flat angles P-C4'-P energy: -24.567
tors. eta vs tors. theta energy: -38.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -418.670704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.670704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.670704 (E_RNA)
where:
Base-Base interactions energy: -264.360
where: short stacking energy: -125.413
Base-Backbone interact. energy: -1.294
local terms energy: -153.016037
where:
bonds (distance) C4'-P energy: -39.625
bonds (distance) P-C4' energy: -34.347
flat angles C4'-P-C4' energy: -37.634
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -23.948
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: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -310.214615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.214615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.214615 (E_RNA)
where:
Base-Base interactions energy: -169.844
where: short stacking energy: -95.501
Base-Backbone interact. energy: -0.467
local terms energy: -139.904045
where:
bonds (distance) C4'-P energy: -33.230
bonds (distance) P-C4' energy: -49.541
flat angles C4'-P-C4' energy: -32.516
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -213.731775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.731775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.731775 (E_RNA)
where:
Base-Base interactions energy: -80.169
where: short stacking energy: -52.000
Base-Backbone interact. energy: 0.969
local terms energy: -134.532066
where:
bonds (distance) C4'-P energy: -40.178
bonds (distance) P-C4' energy: -36.197
flat angles C4'-P-C4' energy: -34.945
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -202.566287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.566287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.566287 (E_RNA)
where:
Base-Base interactions energy: -60.769
where: short stacking energy: -54.348
Base-Backbone interact. energy: -0.479
local terms energy: -141.318619
where:
bonds (distance) C4'-P energy: -41.942
bonds (distance) P-C4' energy: -38.654
flat angles C4'-P-C4' energy: -34.561
flat angles P-C4'-P energy: -25.028
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -211.373481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.373481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.373481 (E_RNA)
where:
Base-Base interactions energy: -89.064
where: short stacking energy: -68.659
Base-Backbone interact. energy: -0.694
local terms energy: -121.615818
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -36.434
flat angles C4'-P-C4' energy: -41.408
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -3.826
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: 5
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -642.780811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.780811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.780811 (E_RNA)
where:
Base-Base interactions energy: -408.733
where: short stacking energy: -209.679
Base-Backbone interact. energy: -0.481
local terms energy: -233.566892
where:
bonds (distance) C4'-P energy: -42.797
bonds (distance) P-C4' energy: -49.396
flat angles C4'-P-C4' energy: -45.611
flat angles P-C4'-P energy: -35.528
tors. eta vs tors. theta energy: -60.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -585.478111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.478111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.478111 (E_RNA)
where:
Base-Base interactions energy: -381.321
where: short stacking energy: -166.341
Base-Backbone interact. energy: -0.346
local terms energy: -203.811125
where:
bonds (distance) C4'-P energy: -50.411
bonds (distance) P-C4' energy: -37.622
flat angles C4'-P-C4' energy: -47.189
flat angles P-C4'-P energy: -25.963
tors. eta vs tors. theta energy: -42.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -554.180071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.180071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.180071 (E_RNA)
where:
Base-Base interactions energy: -355.930
where: short stacking energy: -166.389
Base-Backbone interact. energy: -0.618
local terms energy: -197.631817
where:
bonds (distance) C4'-P energy: -37.293
bonds (distance) P-C4' energy: -44.841
flat angles C4'-P-C4' energy: -39.510
flat angles P-C4'-P energy: -29.910
tors. eta vs tors. theta energy: -46.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -497.977723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.977723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.977723 (E_RNA)
where:
Base-Base interactions energy: -299.977
where: short stacking energy: -136.111
Base-Backbone interact. energy: -1.159
local terms energy: -196.841705
where:
bonds (distance) C4'-P energy: -37.001
bonds (distance) P-C4' energy: -43.392
flat angles C4'-P-C4' energy: -45.194
flat angles P-C4'-P energy: -32.750
tors. eta vs tors. theta energy: -38.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -412.507260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.507260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.507260 (E_RNA)
where:
Base-Base interactions energy: -237.235
where: short stacking energy: -120.784
Base-Backbone interact. energy: -0.858
local terms energy: -174.414263
where:
bonds (distance) C4'-P energy: -34.625
bonds (distance) P-C4' energy: -35.785
flat angles C4'-P-C4' energy: -45.858
flat angles P-C4'-P energy: -27.539
tors. eta vs tors. theta energy: -30.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -441.619543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.619543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.619543 (E_RNA)
where:
Base-Base interactions energy: -262.592
where: short stacking energy: -134.738
Base-Backbone interact. energy: 5.378
local terms energy: -184.404929
where:
bonds (distance) C4'-P energy: -31.797
bonds (distance) P-C4' energy: -44.611
flat angles C4'-P-C4' energy: -48.487
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -34.183
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: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -304.724130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.724130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.724130 (E_RNA)
where:
Base-Base interactions energy: -153.016
where: short stacking energy: -95.533
Base-Backbone interact. energy: -0.615
local terms energy: -151.092975
where:
bonds (distance) C4'-P energy: -36.516
bonds (distance) P-C4' energy: -40.226
flat angles C4'-P-C4' energy: -36.410
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -223.117584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.117584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.117584 (E_RNA)
where:
Base-Base interactions energy: -109.996
where: short stacking energy: -54.977
Base-Backbone interact. energy: -0.278
local terms energy: -112.843695
where:
bonds (distance) C4'-P energy: -39.429
bonds (distance) P-C4' energy: -32.935
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: 5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -198.120205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.120205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.120205 (E_RNA)
where:
Base-Base interactions energy: -65.329
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.483
local terms energy: -132.307859
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -35.787
flat angles C4'-P-C4' energy: -38.129
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -2.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -177.280469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.280469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.280469 (E_RNA)
where:
Base-Base interactions energy: -52.374
where: short stacking energy: -51.890
Base-Backbone interact. energy: -0.479
local terms energy: -124.427626
where:
bonds (distance) C4'-P energy: -32.795
bonds (distance) P-C4' energy: -41.450
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -647.016194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.016194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.016194 (E_RNA)
where:
Base-Base interactions energy: -415.645
where: short stacking energy: -215.563
Base-Backbone interact. energy: -0.030
local terms energy: -231.341645
where:
bonds (distance) C4'-P energy: -38.618
bonds (distance) P-C4' energy: -42.303
flat angles C4'-P-C4' energy: -48.966
flat angles P-C4'-P energy: -36.052
tors. eta vs tors. theta energy: -65.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -591.069670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.069670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.069670 (E_RNA)
where:
Base-Base interactions energy: -381.693
where: short stacking energy: -172.324
Base-Backbone interact. energy: 0.108
local terms energy: -209.484351
where:
bonds (distance) C4'-P energy: -41.177
bonds (distance) P-C4' energy: -37.448
flat angles C4'-P-C4' energy: -48.482
flat angles P-C4'-P energy: -33.880
tors. eta vs tors. theta energy: -48.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -543.866200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.866200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.866200 (E_RNA)
where:
Base-Base interactions energy: -337.975
where: short stacking energy: -161.733
Base-Backbone interact. energy: 0.694
local terms energy: -206.585248
where:
bonds (distance) C4'-P energy: -46.647
bonds (distance) P-C4' energy: -44.245
flat angles C4'-P-C4' energy: -46.252
flat angles P-C4'-P energy: -27.527
tors. eta vs tors. theta energy: -41.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -520.534402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.534402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.534402 (E_RNA)
where:
Base-Base interactions energy: -327.518
where: short stacking energy: -148.652
Base-Backbone interact. energy: -1.508
local terms energy: -191.507942
where:
bonds (distance) C4'-P energy: -38.985
bonds (distance) P-C4' energy: -44.614
flat angles C4'-P-C4' energy: -43.289
flat angles P-C4'-P energy: -26.632
tors. eta vs tors. theta energy: -37.989
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: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -423.942371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.942371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.942371 (E_RNA)
where:
Base-Base interactions energy: -253.534
where: short stacking energy: -132.257
Base-Backbone interact. energy: -0.959
local terms energy: -169.449395
where:
bonds (distance) C4'-P energy: -36.457
bonds (distance) P-C4' energy: -41.427
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -25.870
tors. eta vs tors. theta energy: -29.499
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: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -472.460569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.460569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.460569 (E_RNA)
where:
Base-Base interactions energy: -291.089
where: short stacking energy: -130.551
Base-Backbone interact. energy: -0.787
local terms energy: -180.584289
where:
bonds (distance) C4'-P energy: -42.593
bonds (distance) P-C4' energy: -35.745
flat angles C4'-P-C4' energy: -43.506
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: -27.525
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: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -314.444498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.444498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.444498 (E_RNA)
where:
Base-Base interactions energy: -168.107
where: short stacking energy: -97.177
Base-Backbone interact. energy: 0.678
local terms energy: -147.016245
where:
bonds (distance) C4'-P energy: -37.546
bonds (distance) P-C4' energy: -40.705
flat angles C4'-P-C4' energy: -35.698
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -273.766096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.766096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.766096 (E_RNA)
where:
Base-Base interactions energy: -144.292
where: short stacking energy: -83.218
Base-Backbone interact. energy: -0.565
local terms energy: -128.909290
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -36.138
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -191.102417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.102417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.102417 (E_RNA)
where:
Base-Base interactions energy: -64.310
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.970
local terms energy: -125.821956
where:
bonds (distance) C4'-P energy: -40.140
bonds (distance) P-C4' energy: -33.503
flat angles C4'-P-C4' energy: -27.216
flat angles P-C4'-P energy: -20.392
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -190.747904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.747904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.747904 (E_RNA)
where:
Base-Base interactions energy: -62.585
where: short stacking energy: -59.148
Base-Backbone interact. energy: 1.046
local terms energy: -129.209166
where:
bonds (distance) C4'-P energy: -40.540
bonds (distance) P-C4' energy: -38.479
flat angles C4'-P-C4' energy: -25.564
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -7.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -645.273738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.273738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.273738 (E_RNA)
where:
Base-Base interactions energy: -405.466
where: short stacking energy: -205.804
Base-Backbone interact. energy: -0.158
local terms energy: -239.650179
where:
bonds (distance) C4'-P energy: -45.132
bonds (distance) P-C4' energy: -45.050
flat angles C4'-P-C4' energy: -54.118
flat angles P-C4'-P energy: -31.734
tors. eta vs tors. theta energy: -63.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -586.394378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.394378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.394378 (E_RNA)
where:
Base-Base interactions energy: -389.412
where: short stacking energy: -186.464
Base-Backbone interact. energy: -0.450
local terms energy: -196.533100
where:
bonds (distance) C4'-P energy: -36.442
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -39.518
flat angles P-C4'-P energy: -29.464
tors. eta vs tors. theta energy: -52.917
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: 92
Temperature: 1.000000
Total energy: -600.228668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.228668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.228668 (E_RNA)
where:
Base-Base interactions energy: -394.116
where: short stacking energy: -179.611
Base-Backbone interact. energy: -0.342
local terms energy: -205.769976
where:
bonds (distance) C4'-P energy: -40.154
bonds (distance) P-C4' energy: -43.368
flat angles C4'-P-C4' energy: -41.858
flat angles P-C4'-P energy: -29.715
tors. eta vs tors. theta energy: -50.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -507.581562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.581562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.581562 (E_RNA)
where:
Base-Base interactions energy: -305.186
where: short stacking energy: -140.543
Base-Backbone interact. energy: -0.416
local terms energy: -201.978958
where:
bonds (distance) C4'-P energy: -43.639
bonds (distance) P-C4' energy: -43.328
flat angles C4'-P-C4' energy: -44.931
flat angles P-C4'-P energy: -31.908
tors. eta vs tors. theta energy: -38.173
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: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -465.683508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.683508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.683508 (E_RNA)
where:
Base-Base interactions energy: -279.958
where: short stacking energy: -141.156
Base-Backbone interact. energy: -0.672
local terms energy: -185.054001
where:
bonds (distance) C4'-P energy: -38.625
bonds (distance) P-C4' energy: -41.716
flat angles C4'-P-C4' energy: -43.841
flat angles P-C4'-P energy: -24.136
tors. eta vs tors. theta energy: -36.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -425.446295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.446295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.446295 (E_RNA)
where:
Base-Base interactions energy: -251.939
where: short stacking energy: -129.561
Base-Backbone interact. energy: 1.538
local terms energy: -175.045009
where:
bonds (distance) C4'-P energy: -43.324
bonds (distance) P-C4' energy: -36.503
flat angles C4'-P-C4' energy: -38.873
flat angles P-C4'-P energy: -32.178
tors. eta vs tors. theta energy: -24.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -326.453226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.453226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.453226 (E_RNA)
where:
Base-Base interactions energy: -164.884
where: short stacking energy: -108.750
Base-Backbone interact. energy: -0.914
local terms energy: -160.655330
where:
bonds (distance) C4'-P energy: -40.913
bonds (distance) P-C4' energy: -41.983
flat angles C4'-P-C4' energy: -28.824
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -27.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -224.233468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.233468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.233468 (E_RNA)
where:
Base-Base interactions energy: -68.730
where: short stacking energy: -55.394
Base-Backbone interact. energy: -0.581
local terms energy: -154.922505
where:
bonds (distance) C4'-P energy: -35.993
bonds (distance) P-C4' energy: -45.746
flat angles C4'-P-C4' energy: -40.362
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -203.833162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.833162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.833162 (E_RNA)
where:
Base-Base interactions energy: -71.487
where: short stacking energy: -63.844
Base-Backbone interact. energy: -0.259
local terms energy: -132.086922
where:
bonds (distance) C4'-P energy: -34.513
bonds (distance) P-C4' energy: -37.464
flat angles C4'-P-C4' energy: -41.206
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -185.872542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.872542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.872542 (E_RNA)
where:
Base-Base interactions energy: -59.474
where: short stacking energy: -59.583
Base-Backbone interact. energy: -0.009
local terms energy: -126.389536
where:
bonds (distance) C4'-P energy: -37.606
bonds (distance) P-C4' energy: -42.080
flat angles C4'-P-C4' energy: -34.084
flat angles P-C4'-P energy: -18.200
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: 5
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -643.926375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.926375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.926375 (E_RNA)
where:
Base-Base interactions energy: -417.584
where: short stacking energy: -206.871
Base-Backbone interact. energy: -0.101
local terms energy: -226.241038
where:
bonds (distance) C4'-P energy: -45.435
bonds (distance) P-C4' energy: -39.987
flat angles C4'-P-C4' energy: -50.297
flat angles P-C4'-P energy: -29.582
tors. eta vs tors. theta energy: -60.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -591.470362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.470362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.470362 (E_RNA)
where:
Base-Base interactions energy: -386.250
where: short stacking energy: -189.224
Base-Backbone interact. energy: -0.412
local terms energy: -204.808452
where:
bonds (distance) C4'-P energy: -39.786
bonds (distance) P-C4' energy: -34.434
flat angles C4'-P-C4' energy: -50.270
flat angles P-C4'-P energy: -24.784
tors. eta vs tors. theta energy: -55.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -559.375400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.375400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.375400 (E_RNA)
where:
Base-Base interactions energy: -357.096
where: short stacking energy: -177.654
Base-Backbone interact. energy: -0.244
local terms energy: -202.035179
where:
bonds (distance) C4'-P energy: -35.545
bonds (distance) P-C4' energy: -45.317
flat angles C4'-P-C4' energy: -47.888
flat angles P-C4'-P energy: -22.331
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: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -512.061901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.061901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.061901 (E_RNA)
where:
Base-Base interactions energy: -316.921
where: short stacking energy: -142.894
Base-Backbone interact. energy: -0.690
local terms energy: -194.450939
where:
bonds (distance) C4'-P energy: -36.991
bonds (distance) P-C4' energy: -49.366
flat angles C4'-P-C4' energy: -42.728
flat angles P-C4'-P energy: -32.664
tors. eta vs tors. theta energy: -32.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -447.103187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.103187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.103187 (E_RNA)
where:
Base-Base interactions energy: -263.143
where: short stacking energy: -125.495
Base-Backbone interact. energy: -0.919
local terms energy: -183.041573
where:
bonds (distance) C4'-P energy: -36.335
bonds (distance) P-C4' energy: -42.408
flat angles C4'-P-C4' energy: -44.577
flat angles P-C4'-P energy: -28.001
tors. eta vs tors. theta energy: -31.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -442.220763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.220763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.220763 (E_RNA)
where:
Base-Base interactions energy: -259.006
where: short stacking energy: -134.592
Base-Backbone interact. energy: -0.466
local terms energy: -182.749495
where:
bonds (distance) C4'-P energy: -37.814
bonds (distance) P-C4' energy: -42.671
flat angles C4'-P-C4' energy: -39.668
flat angles P-C4'-P energy: -30.691
tors. eta vs tors. theta energy: -31.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -333.867704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.867704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.867704 (E_RNA)
where:
Base-Base interactions energy: -189.436
where: short stacking energy: -105.748
Base-Backbone interact. energy: -0.568
local terms energy: -143.863538
where:
bonds (distance) C4'-P energy: -28.997
bonds (distance) P-C4' energy: -31.371
flat angles C4'-P-C4' energy: -35.550
flat angles P-C4'-P energy: -24.561
tors. eta vs tors. theta energy: -23.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -196.808920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.808920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.808920 (E_RNA)
where:
Base-Base interactions energy: -73.889
where: short stacking energy: -49.687
Base-Backbone interact. energy: -0.558
local terms energy: -122.361547
where:
bonds (distance) C4'-P energy: -36.246
bonds (distance) P-C4' energy: -42.801
flat angles C4'-P-C4' energy: -38.173
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: 10.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -208.969326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.969326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.969326 (E_RNA)
where:
Base-Base interactions energy: -68.062
where: short stacking energy: -64.144
Base-Backbone interact. energy: -1.644
local terms energy: -139.262357
where:
bonds (distance) C4'-P energy: -29.439
bonds (distance) P-C4' energy: -36.614
flat angles C4'-P-C4' energy: -37.896
flat angles P-C4'-P energy: -27.876
tors. eta vs tors. theta energy: -7.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -173.864566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.864566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.864566 (E_RNA)
where:
Base-Base interactions energy: -59.690
where: short stacking energy: -53.591
Base-Backbone interact. energy: -1.179
local terms energy: -112.995947
where:
bonds (distance) C4'-P energy: -28.737
bonds (distance) P-C4' energy: -38.741
flat angles C4'-P-C4' energy: -29.104
flat angles P-C4'-P energy: -16.747
tors. eta vs tors. theta energy: 0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -604.963824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.963824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.963824 (E_RNA)
where:
Base-Base interactions energy: -406.596
where: short stacking energy: -195.821
Base-Backbone interact. energy: 1.519
local terms energy: -199.886940
where:
bonds (distance) C4'-P energy: -34.393
bonds (distance) P-C4' energy: -44.033
flat angles C4'-P-C4' energy: -44.433
flat angles P-C4'-P energy: -27.923
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: 2, replica: 5
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -619.390991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.390991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.390991 (E_RNA)
where:
Base-Base interactions energy: -409.170
where: short stacking energy: -189.942
Base-Backbone interact. energy: -0.041
local terms energy: -210.180452
where:
bonds (distance) C4'-P energy: -34.769
bonds (distance) P-C4' energy: -37.822
flat angles C4'-P-C4' energy: -50.004
flat angles P-C4'-P energy: -31.357
tors. eta vs tors. theta energy: -56.229
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: 3, replica: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -566.377628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.377628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.377628 (E_RNA)
where:
Base-Base interactions energy: -358.238
where: short stacking energy: -170.983
Base-Backbone interact. energy: -1.645
local terms energy: -206.495376
where:
bonds (distance) C4'-P energy: -44.112
bonds (distance) P-C4' energy: -40.513
flat angles C4'-P-C4' energy: -42.558
flat angles P-C4'-P energy: -30.798
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: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -524.784966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.784966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.784966 (E_RNA)
where:
Base-Base interactions energy: -322.779
where: short stacking energy: -143.303
Base-Backbone interact. energy: -0.279
local terms energy: -201.726782
where:
bonds (distance) C4'-P energy: -37.691
bonds (distance) P-C4' energy: -38.059
flat angles C4'-P-C4' energy: -44.761
flat angles P-C4'-P energy: -32.355
tors. eta vs tors. theta energy: -48.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -447.785308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.785308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.785308 (E_RNA)
where:
Base-Base interactions energy: -272.012
where: short stacking energy: -124.599
Base-Backbone interact. energy: -0.542
local terms energy: -175.231144
where:
bonds (distance) C4'-P energy: -40.578
bonds (distance) P-C4' energy: -45.487
flat angles C4'-P-C4' energy: -36.781
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -32.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -418.100501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.100501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.100501 (E_RNA)
where:
Base-Base interactions energy: -239.030
where: short stacking energy: -130.346
Base-Backbone interact. energy: -0.599
local terms energy: -178.471839
where:
bonds (distance) C4'-P energy: -46.338
bonds (distance) P-C4' energy: -46.092
flat angles C4'-P-C4' energy: -27.744
flat angles P-C4'-P energy: -25.507
tors. eta vs tors. theta energy: -32.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -306.770487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.770487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.770487 (E_RNA)
where:
Base-Base interactions energy: -162.406
where: short stacking energy: -93.761
Base-Backbone interact. energy: 3.095
local terms energy: -147.459500
where:
bonds (distance) C4'-P energy: -30.946
bonds (distance) P-C4' energy: -46.640
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -23.238
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -258.038272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.038272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.038272 (E_RNA)
where:
Base-Base interactions energy: -118.309
where: short stacking energy: -74.537
Base-Backbone interact. energy: 0.496
local terms energy: -140.225771
where:
bonds (distance) C4'-P energy: -47.392
bonds (distance) P-C4' energy: -44.105
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -19.129
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -192.971449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.971449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.971449 (E_RNA)
where:
Base-Base interactions energy: -64.497
where: short stacking energy: -60.134
Base-Backbone interact. energy: -0.782
local terms energy: -127.692670
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -39.808
flat angles C4'-P-C4' energy: -36.516
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: 2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -184.886902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.886902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.886902 (E_RNA)
where:
Base-Base interactions energy: -73.942
where: short stacking energy: -71.374
Base-Backbone interact. energy: 1.073
local terms energy: -112.018410
where:
bonds (distance) C4'-P energy: -39.340
bonds (distance) P-C4' energy: -31.546
flat angles C4'-P-C4' energy: -23.973
flat angles P-C4'-P energy: -16.444
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -602.396783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.396783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.396783 (E_RNA)
where:
Base-Base interactions energy: -393.399
where: short stacking energy: -189.288
Base-Backbone interact. energy: 0.394
local terms energy: -209.391109
where:
bonds (distance) C4'-P energy: -35.615
bonds (distance) P-C4' energy: -44.021
flat angles C4'-P-C4' energy: -47.479
flat angles P-C4'-P energy: -32.595
tors. eta vs tors. theta energy: -49.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -606.872893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.872893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.872893 (E_RNA)
where:
Base-Base interactions energy: -389.144
where: short stacking energy: -194.214
Base-Backbone interact. energy: -0.074
local terms energy: -217.654581
where:
bonds (distance) C4'-P energy: -47.989
bonds (distance) P-C4' energy: -44.755
flat angles C4'-P-C4' energy: -40.901
flat angles P-C4'-P energy: -29.080
tors. eta vs tors. theta energy: -54.930
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: 95
Temperature: 1.000000
Total energy: -577.730302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.730302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.730302 (E_RNA)
where:
Base-Base interactions energy: -368.937
where: short stacking energy: -178.059
Base-Backbone interact. energy: -0.565
local terms energy: -208.228510
where:
bonds (distance) C4'-P energy: -35.271
bonds (distance) P-C4' energy: -40.752
flat angles C4'-P-C4' energy: -51.395
flat angles P-C4'-P energy: -31.419
tors. eta vs tors. theta energy: -49.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -492.481090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.481090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.481090 (E_RNA)
where:
Base-Base interactions energy: -309.311
where: short stacking energy: -148.608
Base-Backbone interact. energy: -1.461
local terms energy: -181.708860
where:
bonds (distance) C4'-P energy: -40.448
bonds (distance) P-C4' energy: -29.158
flat angles C4'-P-C4' energy: -42.626
flat angles P-C4'-P energy: -32.268
tors. eta vs tors. theta energy: -37.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -452.197819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.197819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.197819 (E_RNA)
where:
Base-Base interactions energy: -290.031
where: short stacking energy: -139.141
Base-Backbone interact. energy: 0.985
local terms energy: -163.152438
where:
bonds (distance) C4'-P energy: -39.997
bonds (distance) P-C4' energy: -41.280
flat angles C4'-P-C4' energy: -37.311
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -29.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -424.730490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.730490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.730490 (E_RNA)
where:
Base-Base interactions energy: -241.349
where: short stacking energy: -126.553
Base-Backbone interact. energy: 1.341
local terms energy: -184.722390
where:
bonds (distance) C4'-P energy: -42.252
bonds (distance) P-C4' energy: -40.441
flat angles C4'-P-C4' energy: -47.030
flat angles P-C4'-P energy: -27.234
tors. eta vs tors. theta energy: -27.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -332.060286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.060286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.060286 (E_RNA)
where:
Base-Base interactions energy: -172.620
where: short stacking energy: -93.342
Base-Backbone interact. energy: -0.880
local terms energy: -158.559700
where:
bonds (distance) C4'-P energy: -36.046
bonds (distance) P-C4' energy: -44.594
flat angles C4'-P-C4' energy: -45.930
flat angles P-C4'-P energy: -17.535
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -234.269240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.269240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.269240 (E_RNA)
where:
Base-Base interactions energy: -93.099
where: short stacking energy: -63.816
Base-Backbone interact. energy: 4.150
local terms energy: -145.319472
where:
bonds (distance) C4'-P energy: -47.431
bonds (distance) P-C4' energy: -39.234
flat angles C4'-P-C4' energy: -39.968
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: 5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -189.056950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.056950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.056950 (E_RNA)
where:
Base-Base interactions energy: -65.538
where: short stacking energy: -50.018
Base-Backbone interact. energy: 0.248
local terms energy: -123.766244
where:
bonds (distance) C4'-P energy: -41.924
bonds (distance) P-C4' energy: -43.410
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: 3.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -210.954577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.954577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.954577 (E_RNA)
where:
Base-Base interactions energy: -80.582
where: short stacking energy: -69.878
Base-Backbone interact. energy: -0.780
local terms energy: -129.592165
where:
bonds (distance) C4'-P energy: -25.951
bonds (distance) P-C4' energy: -44.832
flat angles C4'-P-C4' energy: -36.504
flat angles P-C4'-P energy: -15.692
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -589.784363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.784363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.784363 (E_RNA)
where:
Base-Base interactions energy: -377.836
where: short stacking energy: -192.756
Base-Backbone interact. energy: -0.427
local terms energy: -211.520951
where:
bonds (distance) C4'-P energy: -44.999
bonds (distance) P-C4' energy: -39.608
flat angles C4'-P-C4' energy: -43.302
flat angles P-C4'-P energy: -32.880
tors. eta vs tors. theta energy: -50.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -613.631442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.631442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.631442 (E_RNA)
where:
Base-Base interactions energy: -391.196
where: short stacking energy: -191.048
Base-Backbone interact. energy: -0.462
local terms energy: -221.973542
where:
bonds (distance) C4'-P energy: -43.575
bonds (distance) P-C4' energy: -48.364
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -31.881
tors. eta vs tors. theta energy: -58.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -544.649681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.649681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.649681 (E_RNA)
where:
Base-Base interactions energy: -344.841
where: short stacking energy: -161.042
Base-Backbone interact. energy: -1.830
local terms energy: -197.978295
where:
bonds (distance) C4'-P energy: -36.154
bonds (distance) P-C4' energy: -39.752
flat angles C4'-P-C4' energy: -50.024
flat angles P-C4'-P energy: -32.826
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: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -508.690291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.690291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.690291 (E_RNA)
where:
Base-Base interactions energy: -324.414
where: short stacking energy: -167.501
Base-Backbone interact. energy: -0.445
local terms energy: -183.830825
where:
bonds (distance) C4'-P energy: -35.934
bonds (distance) P-C4' energy: -33.659
flat angles C4'-P-C4' energy: -42.794
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: -40.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -504.607535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.607535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.607535 (E_RNA)
where:
Base-Base interactions energy: -327.354
where: short stacking energy: -147.761
Base-Backbone interact. energy: -0.342
local terms energy: -176.910933
where:
bonds (distance) C4'-P energy: -40.976
bonds (distance) P-C4' energy: -43.593
flat angles C4'-P-C4' energy: -33.674
flat angles P-C4'-P energy: -24.022
tors. eta vs tors. theta energy: -34.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -442.717802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.717802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.717802 (E_RNA)
where:
Base-Base interactions energy: -248.260
where: short stacking energy: -139.257
Base-Backbone interact. energy: 0.462
local terms energy: -194.919394
where:
bonds (distance) C4'-P energy: -40.735
bonds (distance) P-C4' energy: -45.922
flat angles C4'-P-C4' energy: -44.729
flat angles P-C4'-P energy: -32.288
tors. eta vs tors. theta energy: -31.245
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: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -272.459131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.459131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.459131 (E_RNA)
where:
Base-Base interactions energy: -126.190
where: short stacking energy: -75.182
Base-Backbone interact. energy: 0.212
local terms energy: -146.480635
where:
bonds (distance) C4'-P energy: -38.008
bonds (distance) P-C4' energy: -41.439
flat angles C4'-P-C4' energy: -39.667
flat angles P-C4'-P energy: -25.157
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -296.381133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.381133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.381133 (E_RNA)
where:
Base-Base interactions energy: -162.382
where: short stacking energy: -72.115
Base-Backbone interact. energy: -0.209
local terms energy: -133.790122
where:
bonds (distance) C4'-P energy: -27.250
bonds (distance) P-C4' energy: -42.211
flat angles C4'-P-C4' energy: -34.332
flat angles P-C4'-P energy: -27.400
tors. eta vs tors. theta energy: -2.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -189.905653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.905653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.905653 (E_RNA)
where:
Base-Base interactions energy: -76.988
where: short stacking energy: -50.829
Base-Backbone interact. energy: 0.794
local terms energy: -113.711475
where:
bonds (distance) C4'-P energy: -29.288
bonds (distance) P-C4' energy: -40.811
flat angles C4'-P-C4' energy: -23.860
flat angles P-C4'-P energy: -21.341
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -201.302063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.302063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.302063 (E_RNA)
where:
Base-Base interactions energy: -75.550
where: short stacking energy: -61.012
Base-Backbone interact. energy: -1.170
local terms energy: -124.582074
where:
bonds (distance) C4'-P energy: -30.943
bonds (distance) P-C4' energy: -42.413
flat angles C4'-P-C4' energy: -32.659
flat angles P-C4'-P energy: -18.226
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -605.134546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.134546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.134546 (E_RNA)
where:
Base-Base interactions energy: -378.352
where: short stacking energy: -184.969
Base-Backbone interact. energy: -1.674
local terms energy: -225.108898
where:
bonds (distance) C4'-P energy: -49.305
bonds (distance) P-C4' energy: -40.905
flat angles C4'-P-C4' energy: -48.990
flat angles P-C4'-P energy: -31.698
tors. eta vs tors. theta energy: -54.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -624.565810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.565810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.565810 (E_RNA)
where:
Base-Base interactions energy: -401.346
where: short stacking energy: -199.067
Base-Backbone interact. energy: 1.356
local terms energy: -224.575858
where:
bonds (distance) C4'-P energy: -41.982
bonds (distance) P-C4' energy: -49.904
flat angles C4'-P-C4' energy: -46.749
flat angles P-C4'-P energy: -34.848
tors. eta vs tors. theta energy: -51.093
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: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -555.744072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.744072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.744072 (E_RNA)
where:
Base-Base interactions energy: -353.571
where: short stacking energy: -171.959
Base-Backbone interact. energy: -0.449
local terms energy: -201.724536
where:
bonds (distance) C4'-P energy: -41.602
bonds (distance) P-C4' energy: -40.684
flat angles C4'-P-C4' energy: -39.538
flat angles P-C4'-P energy: -29.201
tors. eta vs tors. theta energy: -50.699
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: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -523.275143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.275143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.275143 (E_RNA)
where:
Base-Base interactions energy: -341.071
where: short stacking energy: -165.616
Base-Backbone interact. energy: 0.461
local terms energy: -182.665096
where:
bonds (distance) C4'-P energy: -41.050
bonds (distance) P-C4' energy: -38.575
flat angles C4'-P-C4' energy: -38.822
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -42.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -497.752200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.752200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.752200 (E_RNA)
where:
Base-Base interactions energy: -322.277
where: short stacking energy: -132.621
Base-Backbone interact. energy: 0.171
local terms energy: -175.646368
where:
bonds (distance) C4'-P energy: -35.051
bonds (distance) P-C4' energy: -38.500
flat angles C4'-P-C4' energy: -32.958
flat angles P-C4'-P energy: -35.327
tors. eta vs tors. theta energy: -33.811
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: 9
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -440.481014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.481014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.481014 (E_RNA)
where:
Base-Base interactions energy: -264.071
where: short stacking energy: -133.680
Base-Backbone interact. energy: -1.437
local terms energy: -174.973344
where:
bonds (distance) C4'-P energy: -32.298
bonds (distance) P-C4' energy: -34.006
flat angles C4'-P-C4' energy: -43.354
flat angles P-C4'-P energy: -27.477
tors. eta vs tors. theta energy: -37.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -261.345666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.345666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.345666 (E_RNA)
where:
Base-Base interactions energy: -116.370
where: short stacking energy: -86.893
Base-Backbone interact. energy: -0.365
local terms energy: -144.610119
where:
bonds (distance) C4'-P energy: -36.075
bonds (distance) P-C4' energy: -36.874
flat angles C4'-P-C4' energy: -35.699
flat angles P-C4'-P energy: -17.399
tors. eta vs tors. theta energy: -18.563
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: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -270.852256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.852256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.852256 (E_RNA)
where:
Base-Base interactions energy: -153.732
where: short stacking energy: -87.053
Base-Backbone interact. energy: 0.344
local terms energy: -117.464792
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -22.169
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -180.933347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.933347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.933347 (E_RNA)
where:
Base-Base interactions energy: -63.377
where: short stacking energy: -57.878
Base-Backbone interact. energy: 0.017
local terms energy: -117.573582
where:
bonds (distance) C4'-P energy: -36.377
bonds (distance) P-C4' energy: -31.096
flat angles C4'-P-C4' energy: -35.006
flat angles P-C4'-P energy: -20.370
tors. eta vs tors. theta energy: 5.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -188.935942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.935942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.935942 (E_RNA)
where:
Base-Base interactions energy: -65.925
where: short stacking energy: -55.106
Base-Backbone interact. energy: 0.585
local terms energy: -123.595584
where:
bonds (distance) C4'-P energy: -30.776
bonds (distance) P-C4' energy: -38.583
flat angles C4'-P-C4' energy: -32.205
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -604.175696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.175696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.175696 (E_RNA)
where:
Base-Base interactions energy: -386.332
where: short stacking energy: -185.627
Base-Backbone interact. energy: -1.033
local terms energy: -216.809867
where:
bonds (distance) C4'-P energy: -40.678
bonds (distance) P-C4' energy: -46.943
flat angles C4'-P-C4' energy: -49.350
flat angles P-C4'-P energy: -31.760
tors. eta vs tors. theta energy: -48.080
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: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -631.197210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.197210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.197210 (E_RNA)
where:
Base-Base interactions energy: -411.628
where: short stacking energy: -202.394
Base-Backbone interact. energy: -0.207
local terms energy: -219.362306
where:
bonds (distance) C4'-P energy: -42.914
bonds (distance) P-C4' energy: -46.824
flat angles C4'-P-C4' energy: -43.419
flat angles P-C4'-P energy: -29.781
tors. eta vs tors. theta energy: -56.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -574.984023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.984023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.984023 (E_RNA)
where:
Base-Base interactions energy: -365.906
where: short stacking energy: -174.462
Base-Backbone interact. energy: 3.158
local terms energy: -212.236018
where:
bonds (distance) C4'-P energy: -30.423
bonds (distance) P-C4' energy: -45.132
flat angles C4'-P-C4' energy: -48.872
flat angles P-C4'-P energy: -34.690
tors. eta vs tors. theta energy: -53.119
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: 98
Temperature: 1.050000
Total energy: -504.648203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.648203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.648203 (E_RNA)
where:
Base-Base interactions energy: -312.580
where: short stacking energy: -158.197
Base-Backbone interact. energy: -0.296
local terms energy: -191.772408
where:
bonds (distance) C4'-P energy: -36.119
bonds (distance) P-C4' energy: -43.558
flat angles C4'-P-C4' energy: -47.075
flat angles P-C4'-P energy: -23.325
tors. eta vs tors. theta energy: -41.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -483.436020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.436020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.436020 (E_RNA)
where:
Base-Base interactions energy: -294.287
where: short stacking energy: -120.631
Base-Backbone interact. energy: 0.251
local terms energy: -189.399061
where:
bonds (distance) C4'-P energy: -41.130
bonds (distance) P-C4' energy: -45.875
flat angles C4'-P-C4' energy: -40.613
flat angles P-C4'-P energy: -31.032
tors. eta vs tors. theta energy: -30.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -430.775029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.775029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.775029 (E_RNA)
where:
Base-Base interactions energy: -265.832
where: short stacking energy: -146.846
Base-Backbone interact. energy: 0.539
local terms energy: -165.481736
where:
bonds (distance) C4'-P energy: -35.870
bonds (distance) P-C4' energy: -40.660
flat angles C4'-P-C4' energy: -32.397
flat angles P-C4'-P energy: -17.709
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: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -283.768413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.768413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.768413 (E_RNA)
where:
Base-Base interactions energy: -131.247
where: short stacking energy: -86.321
Base-Backbone interact. energy: -1.524
local terms energy: -150.997436
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -41.027
flat angles C4'-P-C4' energy: -41.530
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -209.193823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.193823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.193823 (E_RNA)
where:
Base-Base interactions energy: -82.141
where: short stacking energy: -60.545
Base-Backbone interact. energy: -0.935
local terms energy: -126.117775
where:
bonds (distance) C4'-P energy: -33.692
bonds (distance) P-C4' energy: -35.842
flat angles C4'-P-C4' energy: -40.173
flat angles P-C4'-P energy: -24.718
tors. eta vs tors. theta energy: 8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -194.264851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.264851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.264851 (E_RNA)
where:
Base-Base interactions energy: -77.578
where: short stacking energy: -58.467
Base-Backbone interact. energy: -0.048
local terms energy: -116.638801
where:
bonds (distance) C4'-P energy: -35.513
bonds (distance) P-C4' energy: -36.491
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: 1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -203.217465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.217465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.217465 (E_RNA)
where:
Base-Base interactions energy: -67.801
where: short stacking energy: -53.435
Base-Backbone interact. energy: -0.317
local terms energy: -135.099743
where:
bonds (distance) C4'-P energy: -44.961
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -34.428
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -572.180214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.180214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.180214 (E_RNA)
where:
Base-Base interactions energy: -359.992
where: short stacking energy: -170.194
Base-Backbone interact. energy: -0.843
local terms energy: -211.345251
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -43.168
flat angles P-C4'-P energy: -19.357
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: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -617.601929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.601929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.601929 (E_RNA)
where:
Base-Base interactions energy: -385.931
where: short stacking energy: -184.948
Base-Backbone interact. energy: -1.869
local terms energy: -229.801839
where:
bonds (distance) C4'-P energy: -44.652
bonds (distance) P-C4' energy: -48.420
flat angles C4'-P-C4' energy: -49.046
flat angles P-C4'-P energy: -30.211
tors. eta vs tors. theta energy: -57.473
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -574.653073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.653073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.653073 (E_RNA)
where:
Base-Base interactions energy: -370.074
where: short stacking energy: -176.130
Base-Backbone interact. energy: 0.663
local terms energy: -205.241888
where:
bonds (distance) C4'-P energy: -42.441
bonds (distance) P-C4' energy: -37.042
flat angles C4'-P-C4' energy: -41.013
flat angles P-C4'-P energy: -34.022
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: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -528.570406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.570406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.570406 (E_RNA)
where:
Base-Base interactions energy: -334.008
where: short stacking energy: -172.589
Base-Backbone interact. energy: -0.016
local terms energy: -194.546399
where:
bonds (distance) C4'-P energy: -40.083
bonds (distance) P-C4' energy: -43.107
flat angles C4'-P-C4' energy: -39.052
flat angles P-C4'-P energy: -24.330
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: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -492.075174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.075174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.075174 (E_RNA)
where:
Base-Base interactions energy: -300.071
where: short stacking energy: -150.451
Base-Backbone interact. energy: -0.591
local terms energy: -191.413618
where:
bonds (distance) C4'-P energy: -41.831
bonds (distance) P-C4' energy: -39.945
flat angles C4'-P-C4' energy: -44.883
flat angles P-C4'-P energy: -28.872
tors. eta vs tors. theta energy: -35.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -458.758074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.758074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.758074 (E_RNA)
where:
Base-Base interactions energy: -284.368
where: short stacking energy: -133.654
Base-Backbone interact. energy: 0.423
local terms energy: -174.812816
where:
bonds (distance) C4'-P energy: -42.521
bonds (distance) P-C4' energy: -37.439
flat angles C4'-P-C4' energy: -40.753
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -29.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -287.727775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.727775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.727775 (E_RNA)
where:
Base-Base interactions energy: -139.416
where: short stacking energy: -84.872
Base-Backbone interact. energy: 2.467
local terms energy: -150.778468
where:
bonds (distance) C4'-P energy: -37.195
bonds (distance) P-C4' energy: -41.559
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -27.638
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -261.844032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.844032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.844032 (E_RNA)
where:
Base-Base interactions energy: -109.915
where: short stacking energy: -64.143
Base-Backbone interact. energy: -0.726
local terms energy: -151.203613
where:
bonds (distance) C4'-P energy: -42.718
bonds (distance) P-C4' energy: -43.216
flat angles C4'-P-C4' energy: -34.858
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -7.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -189.856713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.856713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.856713 (E_RNA)
where:
Base-Base interactions energy: -60.844
where: short stacking energy: -60.844
Base-Backbone interact. energy: 3.013
local terms energy: -132.025029
where:
bonds (distance) C4'-P energy: -39.114
bonds (distance) P-C4' energy: -36.344
flat angles C4'-P-C4' energy: -33.734
flat angles P-C4'-P energy: -18.756
tors. eta vs tors. theta energy: -4.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -169.961094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.961094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.961094 (E_RNA)
where:
Base-Base interactions energy: -75.208
where: short stacking energy: -53.257
Base-Backbone interact. energy: 0.133
local terms energy: -94.885738
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: 3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -628.922796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.922796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.922796 (E_RNA)
where:
Base-Base interactions energy: -400.355
where: short stacking energy: -200.595
Base-Backbone interact. energy: -0.064
local terms energy: -228.503312
where:
bonds (distance) C4'-P energy: -39.744
bonds (distance) P-C4' energy: -39.684
flat angles C4'-P-C4' energy: -48.917
flat angles P-C4'-P energy: -33.640
tors. eta vs tors. theta energy: -66.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -573.917887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.917887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.917887 (E_RNA)
where:
Base-Base interactions energy: -371.129
where: short stacking energy: -167.032
Base-Backbone interact. energy: -1.011
local terms energy: -201.778396
where:
bonds (distance) C4'-P energy: -36.942
bonds (distance) P-C4' energy: -46.174
flat angles C4'-P-C4' energy: -44.374
flat angles P-C4'-P energy: -34.977
tors. eta vs tors. theta energy: -39.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -586.971497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.971497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.971497 (E_RNA)
where:
Base-Base interactions energy: -383.842
where: short stacking energy: -179.471
Base-Backbone interact. energy: -1.435
local terms energy: -201.694081
where:
bonds (distance) C4'-P energy: -41.665
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -47.832
flat angles P-C4'-P energy: -17.021
tors. eta vs tors. theta energy: -57.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -525.379586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.379586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.379586 (E_RNA)
where:
Base-Base interactions energy: -325.786
where: short stacking energy: -152.644
Base-Backbone interact. energy: -1.092
local terms energy: -198.501505
where:
bonds (distance) C4'-P energy: -44.055
bonds (distance) P-C4' energy: -42.641
flat angles C4'-P-C4' energy: -37.984
flat angles P-C4'-P energy: -29.905
tors. eta vs tors. theta energy: -43.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -479.578278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.578278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.578278 (E_RNA)
where:
Base-Base interactions energy: -300.146
where: short stacking energy: -132.292
Base-Backbone interact. energy: -0.962
local terms energy: -178.470670
where:
bonds (distance) C4'-P energy: -46.580
bonds (distance) P-C4' energy: -31.941
flat angles C4'-P-C4' energy: -39.472
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -29.842
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: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -443.581776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.581776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.581776 (E_RNA)
where:
Base-Base interactions energy: -261.948
where: short stacking energy: -129.372
Base-Backbone interact. energy: -0.670
local terms energy: -180.963556
where:
bonds (distance) C4'-P energy: -40.930
bonds (distance) P-C4' energy: -36.380
flat angles C4'-P-C4' energy: -38.400
flat angles P-C4'-P energy: -34.801
tors. eta vs tors. theta energy: -30.452
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: 7
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -316.281828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.281828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.281828 (E_RNA)
where:
Base-Base interactions energy: -176.891
where: short stacking energy: -103.123
Base-Backbone interact. energy: -0.740
local terms energy: -138.650074
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -35.259
flat angles C4'-P-C4' energy: -31.306
flat angles P-C4'-P energy: -20.124
tors. eta vs tors. theta energy: -24.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -209.967527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.967527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.967527 (E_RNA)
where:
Base-Base interactions energy: -74.025
where: short stacking energy: -66.673
Base-Backbone interact. energy: -1.846
local terms energy: -134.096551
where:
bonds (distance) C4'-P energy: -39.728
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -36.953
flat angles P-C4'-P energy: -17.942
tors. eta vs tors. theta energy: -7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -203.602702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.602702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.602702 (E_RNA)
where:
Base-Base interactions energy: -83.283
where: short stacking energy: -66.583
Base-Backbone interact. energy: 7.329
local terms energy: -127.649119
where:
bonds (distance) C4'-P energy: -39.778
bonds (distance) P-C4' energy: -36.530
flat angles C4'-P-C4' energy: -28.178
flat angles P-C4'-P energy: -22.124
tors. eta vs tors. theta energy: -1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -178.199166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.199166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.199166 (E_RNA)
where:
Base-Base interactions energy: -46.230
where: short stacking energy: -37.262
Base-Backbone interact. energy: -1.166
local terms energy: -130.803225
where:
bonds (distance) C4'-P energy: -39.190
bonds (distance) P-C4' energy: -41.663
flat angles C4'-P-C4' energy: -36.700
flat angles P-C4'-P energy: -20.720
tors. eta vs tors. theta energy: 7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -639.745669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.745669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.745669 (E_RNA)
where:
Base-Base interactions energy: -409.045
where: short stacking energy: -201.520
Base-Backbone interact. energy: -0.512
local terms energy: -230.189316
where:
bonds (distance) C4'-P energy: -47.342
bonds (distance) P-C4' energy: -43.997
flat angles C4'-P-C4' energy: -51.185
flat angles P-C4'-P energy: -28.482
tors. eta vs tors. theta energy: -59.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -611.619398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.619398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.619398 (E_RNA)
where:
Base-Base interactions energy: -396.019
where: short stacking energy: -174.799
Base-Backbone interact. energy: -0.746
local terms energy: -214.854585
where:
bonds (distance) C4'-P energy: -35.985
bonds (distance) P-C4' energy: -46.369
flat angles C4'-P-C4' energy: -39.844
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -53.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -552.633789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.633789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.633789 (E_RNA)
where:
Base-Base interactions energy: -363.268
where: short stacking energy: -152.441
Base-Backbone interact. energy: -1.028
local terms energy: -188.338169
where:
bonds (distance) C4'-P energy: -39.862
bonds (distance) P-C4' energy: -43.226
flat angles C4'-P-C4' energy: -41.555
flat angles P-C4'-P energy: -27.507
tors. eta vs tors. theta energy: -36.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -501.005851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.005851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.005851 (E_RNA)
where:
Base-Base interactions energy: -315.189
where: short stacking energy: -145.638
Base-Backbone interact. energy: -0.086
local terms energy: -185.730912
where:
bonds (distance) C4'-P energy: -43.480
bonds (distance) P-C4' energy: -44.115
flat angles C4'-P-C4' energy: -40.762
flat angles P-C4'-P energy: -29.127
tors. eta vs tors. theta energy: -28.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -479.768759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.768759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.768759 (E_RNA)
where:
Base-Base interactions energy: -288.350
where: short stacking energy: -144.719
Base-Backbone interact. energy: -0.518
local terms energy: -190.900314
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -33.653
flat angles C4'-P-C4' energy: -34.723
flat angles P-C4'-P energy: -30.425
tors. eta vs tors. theta energy: -43.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -355.151788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.151788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.151788 (E_RNA)
where:
Base-Base interactions energy: -186.432
where: short stacking energy: -122.371
Base-Backbone interact. energy: 0.006
local terms energy: -168.726091
where:
bonds (distance) C4'-P energy: -31.328
bonds (distance) P-C4' energy: -34.528
flat angles C4'-P-C4' energy: -40.080
flat angles P-C4'-P energy: -24.316
tors. eta vs tors. theta energy: -38.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -351.453022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.453022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.453022 (E_RNA)
where:
Base-Base interactions energy: -194.211
where: short stacking energy: -92.659
Base-Backbone interact. energy: -1.731
local terms energy: -155.511396
where:
bonds (distance) C4'-P energy: -37.571
bonds (distance) P-C4' energy: -43.642
flat angles C4'-P-C4' energy: -36.886
flat angles P-C4'-P energy: -24.978
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -214.527103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.527103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.527103 (E_RNA)
where:
Base-Base interactions energy: -83.531
where: short stacking energy: -64.436
Base-Backbone interact. energy: -0.972
local terms energy: -130.024292
where:
bonds (distance) C4'-P energy: -39.087
bonds (distance) P-C4' energy: -41.035
flat angles C4'-P-C4' energy: -33.044
flat angles P-C4'-P energy: -18.763
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: 9, replica: 2
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -189.615195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.615195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.615195 (E_RNA)
where:
Base-Base interactions energy: -67.682
where: short stacking energy: -53.800
Base-Backbone interact. energy: -0.559
local terms energy: -121.373906
where:
bonds (distance) C4'-P energy: -39.560
bonds (distance) P-C4' energy: -36.660
flat angles C4'-P-C4' energy: -28.005
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: 1.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -187.849456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.849456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.849456 (E_RNA)
where:
Base-Base interactions energy: -60.179
where: short stacking energy: -49.792
Base-Backbone interact. energy: 0.910
local terms energy: -128.581213
where:
bonds (distance) C4'-P energy: -43.096
bonds (distance) P-C4' energy: -38.347
flat angles C4'-P-C4' energy: -35.647
flat angles P-C4'-P energy: -14.098
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: 1, replica: 5
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -637.036554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.036554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.036554 (E_RNA)
where:
Base-Base interactions energy: -410.171
where: short stacking energy: -199.378
Base-Backbone interact. energy: -0.107
local terms energy: -226.758574
where:
bonds (distance) C4'-P energy: -39.346
bonds (distance) P-C4' energy: -48.110
flat angles C4'-P-C4' energy: -50.203
flat angles P-C4'-P energy: -28.931
tors. eta vs tors. theta energy: -60.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -598.308122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.308122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.308122 (E_RNA)
where:
Base-Base interactions energy: -385.363
where: short stacking energy: -167.877
Base-Backbone interact. energy: 0.107
local terms energy: -213.052262
where:
bonds (distance) C4'-P energy: -45.392
bonds (distance) P-C4' energy: -43.573
flat angles C4'-P-C4' energy: -42.580
flat angles P-C4'-P energy: -28.644
tors. eta vs tors. theta energy: -52.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -572.201412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.201412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.201412 (E_RNA)
where:
Base-Base interactions energy: -370.490
where: short stacking energy: -176.925
Base-Backbone interact. energy: -0.648
local terms energy: -201.063804
where:
bonds (distance) C4'-P energy: -46.846
bonds (distance) P-C4' energy: -37.230
flat angles C4'-P-C4' energy: -42.858
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -46.492
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: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -490.851488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.851488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.851488 (E_RNA)
where:
Base-Base interactions energy: -290.786
where: short stacking energy: -142.147
Base-Backbone interact. energy: -0.641
local terms energy: -199.424881
where:
bonds (distance) C4'-P energy: -44.604
bonds (distance) P-C4' energy: -47.052
flat angles C4'-P-C4' energy: -35.154
flat angles P-C4'-P energy: -33.818
tors. eta vs tors. theta energy: -38.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -505.001396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.001396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.001396 (E_RNA)
where:
Base-Base interactions energy: -321.185
where: short stacking energy: -157.631
Base-Backbone interact. energy: -0.206
local terms energy: -183.610058
where:
bonds (distance) C4'-P energy: -41.405
bonds (distance) P-C4' energy: -33.282
flat angles C4'-P-C4' energy: -40.985
flat angles P-C4'-P energy: -25.189
tors. eta vs tors. theta energy: -42.748
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: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -327.682157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.682157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.682157 (E_RNA)
where:
Base-Base interactions energy: -169.583
where: short stacking energy: -103.354
Base-Backbone interact. energy: -0.733
local terms energy: -157.366289
where:
bonds (distance) C4'-P energy: -45.241
bonds (distance) P-C4' energy: -40.220
flat angles C4'-P-C4' energy: -32.792
flat angles P-C4'-P energy: -25.115
tors. eta vs tors. theta energy: -13.998
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: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -356.019785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.019785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.019785 (E_RNA)
where:
Base-Base interactions energy: -201.054
where: short stacking energy: -107.578
Base-Backbone interact. energy: -0.886
local terms energy: -154.079306
where:
bonds (distance) C4'-P energy: -30.014
bonds (distance) P-C4' energy: -42.484
flat angles C4'-P-C4' energy: -39.067
flat angles P-C4'-P energy: -21.439
tors. eta vs tors. theta energy: -21.076
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: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -205.607867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.607867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.607867 (E_RNA)
where:
Base-Base interactions energy: -86.186
where: short stacking energy: -68.348
Base-Backbone interact. energy: -0.152
local terms energy: -119.269959
where:
bonds (distance) C4'-P energy: -36.148
bonds (distance) P-C4' energy: -32.302
flat angles C4'-P-C4' energy: -33.637
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -217.670036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.670036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.670036 (E_RNA)
where:
Base-Base interactions energy: -80.275
where: short stacking energy: -61.962
Base-Backbone interact. energy: 4.618
local terms energy: -142.013538
where:
bonds (distance) C4'-P energy: -47.866
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -35.198
flat angles P-C4'-P energy: -17.263
tors. eta vs tors. theta energy: -0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -184.722961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.722961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.722961 (E_RNA)
where:
Base-Base interactions energy: -65.994
where: short stacking energy: -63.358
Base-Backbone interact. energy: -0.527
local terms energy: -118.201811
where:
bonds (distance) C4'-P energy: -33.760
bonds (distance) P-C4' energy: -39.223
flat angles C4'-P-C4' energy: -27.433
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -4.014
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: 5
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -638.406447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.406447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.406447 (E_RNA)
where:
Base-Base interactions energy: -403.657
where: short stacking energy: -209.376
Base-Backbone interact. energy: -0.124
local terms energy: -234.624586
where:
bonds (distance) C4'-P energy: -40.519
bonds (distance) P-C4' energy: -46.446
flat angles C4'-P-C4' energy: -44.569
flat angles P-C4'-P energy: -39.141
tors. eta vs tors. theta energy: -63.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -559.063335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.063335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.063335 (E_RNA)
where:
Base-Base interactions energy: -362.183
where: short stacking energy: -163.313
Base-Backbone interact. energy: -1.467
local terms energy: -195.412607
where:
bonds (distance) C4'-P energy: -34.883
bonds (distance) P-C4' energy: -44.173
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -28.487
tors. eta vs tors. theta energy: -46.740
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: 103
Temperature: 1.000000
Total energy: -588.514105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.514105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.514105 (E_RNA)
where:
Base-Base interactions energy: -382.810
where: short stacking energy: -170.288
Base-Backbone interact. energy: -0.410
local terms energy: -205.293862
where:
bonds (distance) C4'-P energy: -44.296
bonds (distance) P-C4' energy: -40.236
flat angles C4'-P-C4' energy: -48.037
flat angles P-C4'-P energy: -28.059
tors. eta vs tors. theta energy: -44.666
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: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -504.537701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.537701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.537701 (E_RNA)
where:
Base-Base interactions energy: -314.345
where: short stacking energy: -140.675
Base-Backbone interact. energy: -0.685
local terms energy: -189.508290
where:
bonds (distance) C4'-P energy: -44.030
bonds (distance) P-C4' energy: -38.117
flat angles C4'-P-C4' energy: -43.354
flat angles P-C4'-P energy: -32.315
tors. eta vs tors. theta energy: -31.692
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: 5, replica: 8
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -495.326183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.326183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.326183 (E_RNA)
where:
Base-Base interactions energy: -317.842
where: short stacking energy: -159.526
Base-Backbone interact. energy: -1.242
local terms energy: -176.242006
where:
bonds (distance) C4'-P energy: -36.443
bonds (distance) P-C4' energy: -39.470
flat angles C4'-P-C4' energy: -37.685
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -41.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -344.318391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.318391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.318391 (E_RNA)
where:
Base-Base interactions energy: -171.380
where: short stacking energy: -105.023
Base-Backbone interact. energy: 1.055
local terms energy: -173.993914
where:
bonds (distance) C4'-P energy: -44.760
bonds (distance) P-C4' energy: -43.113
flat angles C4'-P-C4' energy: -39.918
flat angles P-C4'-P energy: -23.442
tors. eta vs tors. theta energy: -22.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -314.038714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.038714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.038714 (E_RNA)
where:
Base-Base interactions energy: -158.513
where: short stacking energy: -94.884
Base-Backbone interact. energy: 0.671
local terms energy: -156.196338
where:
bonds (distance) C4'-P energy: -31.418
bonds (distance) P-C4' energy: -48.932
flat angles C4'-P-C4' energy: -38.804
flat angles P-C4'-P energy: -23.183
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -220.318114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.318114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.318114 (E_RNA)
where:
Base-Base interactions energy: -84.474
where: short stacking energy: -59.125
Base-Backbone interact. energy: -0.810
local terms energy: -135.034335
where:
bonds (distance) C4'-P energy: -41.024
bonds (distance) P-C4' energy: -42.805
flat angles C4'-P-C4' energy: -35.761
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: 0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -202.221457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.221457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.221457 (E_RNA)
where:
Base-Base interactions energy: -72.513
where: short stacking energy: -65.045
Base-Backbone interact. energy: 0.408
local terms energy: -130.116526
where:
bonds (distance) C4'-P energy: -28.000
bonds (distance) P-C4' energy: -39.240
flat angles C4'-P-C4' energy: -38.577
flat angles P-C4'-P energy: -18.415
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: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -178.713411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.713411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.713411 (E_RNA)
where:
Base-Base interactions energy: -67.322
where: short stacking energy: -60.063
Base-Backbone interact. energy: 0.541
local terms energy: -111.932324
where:
bonds (distance) C4'-P energy: -30.580
bonds (distance) P-C4' energy: -37.478
flat angles C4'-P-C4' energy: -26.592
flat angles P-C4'-P energy: -23.205
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: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -594.581303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.581303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.581303 (E_RNA)
where:
Base-Base interactions energy: -380.603
where: short stacking energy: -171.551
Base-Backbone interact. energy: 0.471
local terms energy: -214.449747
where:
bonds (distance) C4'-P energy: -42.282
bonds (distance) P-C4' energy: -44.502
flat angles C4'-P-C4' energy: -45.039
flat angles P-C4'-P energy: -33.198
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: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -636.231327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.231327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.231327 (E_RNA)
where:
Base-Base interactions energy: -424.213
where: short stacking energy: -202.391
Base-Backbone interact. energy: -0.063
local terms energy: -211.955732
where:
bonds (distance) C4'-P energy: -31.210
bonds (distance) P-C4' energy: -42.134
flat angles C4'-P-C4' energy: -45.742
flat angles P-C4'-P energy: -32.372
tors. eta vs tors. theta energy: -60.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -584.730028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.730028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.730028 (E_RNA)
where:
Base-Base interactions energy: -384.908
where: short stacking energy: -169.479
Base-Backbone interact. energy: -1.136
local terms energy: -198.686641
where:
bonds (distance) C4'-P energy: -37.922
bonds (distance) P-C4' energy: -45.578
flat angles C4'-P-C4' energy: -41.996
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -43.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -519.813070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.813070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.813070 (E_RNA)
where:
Base-Base interactions energy: -327.237
where: short stacking energy: -144.979
Base-Backbone interact. energy: -0.884
local terms energy: -191.692363
where:
bonds (distance) C4'-P energy: -45.736
bonds (distance) P-C4' energy: -39.346
flat angles C4'-P-C4' energy: -41.930
flat angles P-C4'-P energy: -27.693
tors. eta vs tors. theta energy: -36.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -484.695228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.695228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.695228 (E_RNA)
where:
Base-Base interactions energy: -298.967
where: short stacking energy: -149.454
Base-Backbone interact. energy: 0.892
local terms energy: -186.620153
where:
bonds (distance) C4'-P energy: -34.660
bonds (distance) P-C4' energy: -41.598
flat angles C4'-P-C4' energy: -39.028
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -47.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -361.743092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.743092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.743092 (E_RNA)
where:
Base-Base interactions energy: -175.463
where: short stacking energy: -110.248
Base-Backbone interact. energy: -0.839
local terms energy: -185.441977
where:
bonds (distance) C4'-P energy: -40.238
bonds (distance) P-C4' energy: -41.154
flat angles C4'-P-C4' energy: -44.478
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -28.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -306.402499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.402499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.402499 (E_RNA)
where:
Base-Base interactions energy: -151.751
where: short stacking energy: -94.554
Base-Backbone interact. energy: -0.505
local terms energy: -154.146278
where:
bonds (distance) C4'-P energy: -32.932
bonds (distance) P-C4' energy: -42.654
flat angles C4'-P-C4' energy: -35.057
flat angles P-C4'-P energy: -25.619
tors. eta vs tors. theta energy: -17.884
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: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -242.384389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.384389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.384389 (E_RNA)
where:
Base-Base interactions energy: -123.831
where: short stacking energy: -82.918
Base-Backbone interact. energy: -0.133
local terms energy: -118.419655
where:
bonds (distance) C4'-P energy: -32.986
bonds (distance) P-C4' energy: -35.655
flat angles C4'-P-C4' energy: -33.923
flat angles P-C4'-P energy: -13.695
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: 9, replica: 1
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -206.419568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.419568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.419568 (E_RNA)
where:
Base-Base interactions energy: -75.068
where: short stacking energy: -63.459
Base-Backbone interact. energy: 1.324
local terms energy: -132.675643
where:
bonds (distance) C4'-P energy: -29.425
bonds (distance) P-C4' energy: -38.702
flat angles C4'-P-C4' energy: -33.082
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: -9.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -175.513851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.513851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.513851 (E_RNA)
where:
Base-Base interactions energy: -41.191
where: short stacking energy: -41.143
Base-Backbone interact. energy: -0.763
local terms energy: -133.559215
where:
bonds (distance) C4'-P energy: -28.790
bonds (distance) P-C4' energy: -49.116
flat angles C4'-P-C4' energy: -38.284
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: 6.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -610.748029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.748029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.748029 (E_RNA)
where:
Base-Base interactions energy: -394.138
where: short stacking energy: -184.077
Base-Backbone interact. energy: -1.663
local terms energy: -214.946724
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -37.720
flat angles C4'-P-C4' energy: -49.398
flat angles P-C4'-P energy: -28.111
tors. eta vs tors. theta energy: -56.352
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: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -613.923553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.923553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.923553 (E_RNA)
where:
Base-Base interactions energy: -408.534
where: short stacking energy: -182.834
Base-Backbone interact. energy: -0.351
local terms energy: -205.038904
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -45.910
flat angles C4'-P-C4' energy: -42.877
flat angles P-C4'-P energy: -36.094
tors. eta vs tors. theta energy: -44.847
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: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -604.553580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.553580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.553580 (E_RNA)
where:
Base-Base interactions energy: -383.897
where: short stacking energy: -198.573
Base-Backbone interact. energy: 2.652
local terms energy: -223.308294
where:
bonds (distance) C4'-P energy: -40.905
bonds (distance) P-C4' energy: -45.221
flat angles C4'-P-C4' energy: -46.362
flat angles P-C4'-P energy: -32.702
tors. eta vs tors. theta energy: -58.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -507.152776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.152776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.152776 (E_RNA)
where:
Base-Base interactions energy: -326.568
where: short stacking energy: -142.567
Base-Backbone interact. energy: -1.347
local terms energy: -179.238011
where:
bonds (distance) C4'-P energy: -34.361
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -36.539
flat angles P-C4'-P energy: -29.943
tors. eta vs tors. theta energy: -31.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -467.453726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.453726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.453726 (E_RNA)
where:
Base-Base interactions energy: -284.965
where: short stacking energy: -137.860
Base-Backbone interact. energy: -0.347
local terms energy: -182.141570
where:
bonds (distance) C4'-P energy: -40.853
bonds (distance) P-C4' energy: -34.730
flat angles C4'-P-C4' energy: -47.953
flat angles P-C4'-P energy: -26.880
tors. eta vs tors. theta energy: -31.725
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: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -343.497603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.497603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.497603 (E_RNA)
where:
Base-Base interactions energy: -195.684
where: short stacking energy: -113.798
Base-Backbone interact. energy: 1.414
local terms energy: -149.227903
where:
bonds (distance) C4'-P energy: -37.714
bonds (distance) P-C4' energy: -32.379
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -22.569
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -301.380924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.380924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.380924 (E_RNA)
where:
Base-Base interactions energy: -142.062
where: short stacking energy: -86.539
Base-Backbone interact. energy: 0.054
local terms energy: -159.373503
where:
bonds (distance) C4'-P energy: -40.739
bonds (distance) P-C4' energy: -38.968
flat angles C4'-P-C4' energy: -40.074
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: -17.888
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: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -218.500905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.500905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.500905 (E_RNA)
where:
Base-Base interactions energy: -93.822
where: short stacking energy: -59.612
Base-Backbone interact. energy: 0.994
local terms energy: -125.673075
where:
bonds (distance) C4'-P energy: -34.834
bonds (distance) P-C4' energy: -37.748
flat angles C4'-P-C4' energy: -30.240
flat angles P-C4'-P energy: -18.172
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -200.740909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.740909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.740909 (E_RNA)
where:
Base-Base interactions energy: -77.968
where: short stacking energy: -66.211
Base-Backbone interact. energy: 0.627
local terms energy: -123.400336
where:
bonds (distance) C4'-P energy: -38.900
bonds (distance) P-C4' energy: -41.423
flat angles C4'-P-C4' energy: -26.013
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -4.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -175.693655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.693655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.693655 (E_RNA)
where:
Base-Base interactions energy: -66.895
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.858
local terms energy: -107.940459
where:
bonds (distance) C4'-P energy: -34.611
bonds (distance) P-C4' energy: -35.440
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: 10.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -642.994903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.994903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.994903 (E_RNA)
where:
Base-Base interactions energy: -439.745
where: short stacking energy: -185.785
Base-Backbone interact. energy: -1.191
local terms energy: -202.058257
where:
bonds (distance) C4'-P energy: -40.783
bonds (distance) P-C4' energy: -33.721
flat angles C4'-P-C4' energy: -44.437
flat angles P-C4'-P energy: -31.623
tors. eta vs tors. theta energy: -51.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -598.451818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.451818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.451818 (E_RNA)
where:
Base-Base interactions energy: -386.401
where: short stacking energy: -179.510
Base-Backbone interact. energy: -2.585
local terms energy: -209.465412
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -48.270
flat angles C4'-P-C4' energy: -50.902
flat angles P-C4'-P energy: -25.219
tors. eta vs tors. theta energy: -47.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -610.449265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.449265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.449265 (E_RNA)
where:
Base-Base interactions energy: -404.607
where: short stacking energy: -195.084
Base-Backbone interact. energy: -1.084
local terms energy: -204.758644
where:
bonds (distance) C4'-P energy: -38.153
bonds (distance) P-C4' energy: -37.427
flat angles C4'-P-C4' energy: -42.325
flat angles P-C4'-P energy: -32.608
tors. eta vs tors. theta energy: -54.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -516.075949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.075949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.075949 (E_RNA)
where:
Base-Base interactions energy: -348.791
where: short stacking energy: -157.043
Base-Backbone interact. energy: -0.490
local terms energy: -166.795253
where:
bonds (distance) C4'-P energy: -31.889
bonds (distance) P-C4' energy: -35.921
flat angles C4'-P-C4' energy: -38.905
flat angles P-C4'-P energy: -19.859
tors. eta vs tors. theta energy: -40.222
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: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -463.715606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.715606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.715606 (E_RNA)
where:
Base-Base interactions energy: -292.730
where: short stacking energy: -140.460
Base-Backbone interact. energy: 1.712
local terms energy: -172.697962
where:
bonds (distance) C4'-P energy: -30.694
bonds (distance) P-C4' energy: -37.649
flat angles C4'-P-C4' energy: -44.031
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -36.372
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: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -322.181153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.181153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.181153 (E_RNA)
where:
Base-Base interactions energy: -187.445
where: short stacking energy: -107.283
Base-Backbone interact. energy: -1.907
local terms energy: -132.828854
where:
bonds (distance) C4'-P energy: -36.715
bonds (distance) P-C4' energy: -34.811
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -16.583
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -229.658306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.658306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.658306 (E_RNA)
where:
Base-Base interactions energy: -96.592
where: short stacking energy: -70.105
Base-Backbone interact. energy: -0.892
local terms energy: -132.173797
where:
bonds (distance) C4'-P energy: -42.240
bonds (distance) P-C4' energy: -42.755
flat angles C4'-P-C4' energy: -34.319
flat angles P-C4'-P energy: -15.895
tors. eta vs tors. theta energy: 3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -296.353464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.353464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.353464 (E_RNA)
where:
Base-Base interactions energy: -134.954
where: short stacking energy: -76.076
Base-Backbone interact. energy: 0.369
local terms energy: -161.767996
where:
bonds (distance) C4'-P energy: -42.001
bonds (distance) P-C4' energy: -44.722
flat angles C4'-P-C4' energy: -32.644
flat angles P-C4'-P energy: -33.078
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: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -200.110423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.110423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.110423 (E_RNA)
where:
Base-Base interactions energy: -72.463
where: short stacking energy: -59.921
Base-Backbone interact. energy: -0.382
local terms energy: -127.265481
where:
bonds (distance) C4'-P energy: -32.757
bonds (distance) P-C4' energy: -40.513
flat angles C4'-P-C4' energy: -36.302
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -170.983284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.983284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.983284 (E_RNA)
where:
Base-Base interactions energy: -63.781
where: short stacking energy: -58.103
Base-Backbone interact. energy: -1.131
local terms energy: -106.071148
where:
bonds (distance) C4'-P energy: -31.935
bonds (distance) P-C4' energy: -34.549
flat angles C4'-P-C4' energy: -25.316
flat angles P-C4'-P energy: -24.464
tors. eta vs tors. theta energy: 10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -635.480837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.480837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.480837 (E_RNA)
where:
Base-Base interactions energy: -422.140
where: short stacking energy: -194.788
Base-Backbone interact. energy: -1.251
local terms energy: -212.090563
where:
bonds (distance) C4'-P energy: -43.490
bonds (distance) P-C4' energy: -42.878
flat angles C4'-P-C4' energy: -41.024
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: -55.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -660.484881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.484881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.484881 (E_RNA)
where:
Base-Base interactions energy: -441.172
where: short stacking energy: -218.690
Base-Backbone interact. energy: -0.271
local terms energy: -219.041898
where:
bonds (distance) C4'-P energy: -43.493
bonds (distance) P-C4' energy: -38.620
flat angles C4'-P-C4' energy: -47.314
flat angles P-C4'-P energy: -30.167
tors. eta vs tors. theta energy: -59.448
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: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -584.085673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.085673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.085673 (E_RNA)
where:
Base-Base interactions energy: -371.501
where: short stacking energy: -164.429
Base-Backbone interact. energy: -2.267
local terms energy: -210.317878
where:
bonds (distance) C4'-P energy: -40.605
bonds (distance) P-C4' energy: -46.729
flat angles C4'-P-C4' energy: -46.123
flat angles P-C4'-P energy: -33.281
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: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -491.651266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.651266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.651266 (E_RNA)
where:
Base-Base interactions energy: -314.601
where: short stacking energy: -149.564
Base-Backbone interact. energy: -1.608
local terms energy: -175.442246
where:
bonds (distance) C4'-P energy: -48.038
bonds (distance) P-C4' energy: -39.257
flat angles C4'-P-C4' energy: -39.102
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -25.409
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: 107
Temperature: 1.100000
Total energy: -498.293286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.293286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.293286 (E_RNA)
where:
Base-Base interactions energy: -307.193
where: short stacking energy: -144.746
Base-Backbone interact. energy: -1.181
local terms energy: -189.919354
where:
bonds (distance) C4'-P energy: -47.064
bonds (distance) P-C4' energy: -36.849
flat angles C4'-P-C4' energy: -39.666
flat angles P-C4'-P energy: -25.812
tors. eta vs tors. theta energy: -40.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -325.553414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.553414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.553414 (E_RNA)
where:
Base-Base interactions energy: -174.666
where: short stacking energy: -92.032
Base-Backbone interact. energy: -0.976
local terms energy: -149.911644
where:
bonds (distance) C4'-P energy: -41.453
bonds (distance) P-C4' energy: -38.691
flat angles C4'-P-C4' energy: -34.311
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -202.661134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.661134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.661134 (E_RNA)
where:
Base-Base interactions energy: -80.986
where: short stacking energy: -54.947
Base-Backbone interact. energy: 3.287
local terms energy: -124.962398
where:
bonds (distance) C4'-P energy: -35.646
bonds (distance) P-C4' energy: -42.751
flat angles C4'-P-C4' energy: -28.622
flat angles P-C4'-P energy: -22.916
tors. eta vs tors. theta energy: 4.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -328.385772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.385772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.385772 (E_RNA)
where:
Base-Base interactions energy: -189.607
where: short stacking energy: -87.618
Base-Backbone interact. energy: 1.312
local terms energy: -140.090503
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -28.330
flat angles C4'-P-C4' energy: -36.762
flat angles P-C4'-P energy: -27.381
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -191.842221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.842221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.842221 (E_RNA)
where:
Base-Base interactions energy: -64.224
where: short stacking energy: -51.752
Base-Backbone interact. energy: -0.770
local terms energy: -126.849017
where:
bonds (distance) C4'-P energy: -34.355
bonds (distance) P-C4' energy: -44.365
flat angles C4'-P-C4' energy: -25.926
flat angles P-C4'-P energy: -24.405
tors. eta vs tors. theta energy: 2.202
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: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -175.683757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.683757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.683757 (E_RNA)
where:
Base-Base interactions energy: -59.545
where: short stacking energy: -53.201
Base-Backbone interact. energy: -0.734
local terms energy: -115.405541
where:
bonds (distance) C4'-P energy: -30.373
bonds (distance) P-C4' energy: -29.624
flat angles C4'-P-C4' energy: -41.030
flat angles P-C4'-P energy: -16.653
tors. eta vs tors. theta energy: 2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -666.411421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.411421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.411421 (E_RNA)
where:
Base-Base interactions energy: -432.023
where: short stacking energy: -212.761
Base-Backbone interact. energy: -1.039
local terms energy: -233.349243
where:
bonds (distance) C4'-P energy: -41.576
bonds (distance) P-C4' energy: -43.624
flat angles C4'-P-C4' energy: -45.894
flat angles P-C4'-P energy: -36.383
tors. eta vs tors. theta energy: -65.873
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: 108
Temperature: 0.950000
Total energy: -595.294598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.294598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.294598 (E_RNA)
where:
Base-Base interactions energy: -379.993
where: short stacking energy: -179.388
Base-Backbone interact. energy: -1.008
local terms energy: -214.293856
where:
bonds (distance) C4'-P energy: -38.887
bonds (distance) P-C4' energy: -43.240
flat angles C4'-P-C4' energy: -45.892
flat angles P-C4'-P energy: -32.353
tors. eta vs tors. theta energy: -53.922
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: 6
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -573.644364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.644364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.644364 (E_RNA)
where:
Base-Base interactions energy: -379.228
where: short stacking energy: -174.228
Base-Backbone interact. energy: -0.857
local terms energy: -193.559723
where:
bonds (distance) C4'-P energy: -35.249
bonds (distance) P-C4' energy: -43.505
flat angles C4'-P-C4' energy: -41.304
flat angles P-C4'-P energy: -25.746
tors. eta vs tors. theta energy: -47.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -498.239727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.239727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.239727 (E_RNA)
where:
Base-Base interactions energy: -313.826
where: short stacking energy: -155.016
Base-Backbone interact. energy: 1.675
local terms energy: -186.089009
where:
bonds (distance) C4'-P energy: -42.478
bonds (distance) P-C4' energy: -50.378
flat angles C4'-P-C4' energy: -40.350
flat angles P-C4'-P energy: -19.451
tors. eta vs tors. theta energy: -33.431
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: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -480.646559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.646559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.646559 (E_RNA)
where:
Base-Base interactions energy: -294.180
where: short stacking energy: -147.444
Base-Backbone interact. energy: -1.009
local terms energy: -185.457848
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -33.238
flat angles C4'-P-C4' energy: -44.305
flat angles P-C4'-P energy: -30.450
tors. eta vs tors. theta energy: -40.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -317.464130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.464130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.464130 (E_RNA)
where:
Base-Base interactions energy: -159.034
where: short stacking energy: -107.442
Base-Backbone interact. energy: 1.537
local terms energy: -159.966848
where:
bonds (distance) C4'-P energy: -32.596
bonds (distance) P-C4' energy: -44.266
flat angles C4'-P-C4' energy: -36.440
flat angles P-C4'-P energy: -25.999
tors. eta vs tors. theta energy: -20.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -363.299537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.299537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.299537 (E_RNA)
where:
Base-Base interactions energy: -209.390
where: short stacking energy: -99.709
Base-Backbone interact. energy: -1.404
local terms energy: -152.505149
where:
bonds (distance) C4'-P energy: -34.263
bonds (distance) P-C4' energy: -31.723
flat angles C4'-P-C4' energy: -38.210
flat angles P-C4'-P energy: -26.056
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -235.204121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.204121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.204121 (E_RNA)
where:
Base-Base interactions energy: -89.270
where: short stacking energy: -64.874
Base-Backbone interact. energy: -1.132
local terms energy: -144.801518
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -41.167
flat angles C4'-P-C4' energy: -36.250
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: -3.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -184.322621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.322621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.322621 (E_RNA)
where:
Base-Base interactions energy: -71.641
where: short stacking energy: -56.713
Base-Backbone interact. energy: -1.142
local terms energy: -111.540020
where:
bonds (distance) C4'-P energy: -36.388
bonds (distance) P-C4' energy: -37.185
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: 9.544
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: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -195.261586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.261586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.261586 (E_RNA)
where:
Base-Base interactions energy: -56.023
where: short stacking energy: -55.330
Base-Backbone interact. energy: -1.152
local terms energy: -138.085999
where:
bonds (distance) C4'-P energy: -38.360
bonds (distance) P-C4' energy: -42.841
flat angles C4'-P-C4' energy: -32.064
flat angles P-C4'-P energy: -19.849
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: 5
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -660.765743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.765743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.765743 (E_RNA)
where:
Base-Base interactions energy: -429.631
where: short stacking energy: -199.414
Base-Backbone interact. energy: -0.515
local terms energy: -230.619621
where:
bonds (distance) C4'-P energy: -38.840
bonds (distance) P-C4' energy: -46.713
flat angles C4'-P-C4' energy: -50.930
flat angles P-C4'-P energy: -30.767
tors. eta vs tors. theta energy: -63.370
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: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -607.826572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.826572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.826572 (E_RNA)
where:
Base-Base interactions energy: -404.435
where: short stacking energy: -193.822
Base-Backbone interact. energy: 1.035
local terms energy: -204.426693
where:
bonds (distance) C4'-P energy: -47.291
bonds (distance) P-C4' energy: -33.068
flat angles C4'-P-C4' energy: -46.932
flat angles P-C4'-P energy: -20.449
tors. eta vs tors. theta energy: -56.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -576.726595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.726595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.726595 (E_RNA)
where:
Base-Base interactions energy: -374.871
where: short stacking energy: -165.105
Base-Backbone interact. energy: -1.142
local terms energy: -200.714121
where:
bonds (distance) C4'-P energy: -39.260
bonds (distance) P-C4' energy: -43.930
flat angles C4'-P-C4' energy: -36.964
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: -49.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -528.792313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.792313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.792313 (E_RNA)
where:
Base-Base interactions energy: -344.777
where: short stacking energy: -158.444
Base-Backbone interact. energy: 0.865
local terms energy: -184.880486
where:
bonds (distance) C4'-P energy: -39.070
bonds (distance) P-C4' energy: -36.585
flat angles C4'-P-C4' energy: -40.084
flat angles P-C4'-P energy: -26.412
tors. eta vs tors. theta energy: -42.730
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: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -475.045092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.045092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.045092 (E_RNA)
where:
Base-Base interactions energy: -288.172
where: short stacking energy: -144.295
Base-Backbone interact. energy: -1.277
local terms energy: -185.596340
where:
bonds (distance) C4'-P energy: -42.815
bonds (distance) P-C4' energy: -39.216
flat angles C4'-P-C4' energy: -49.022
flat angles P-C4'-P energy: -20.070
tors. eta vs tors. theta energy: -34.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -369.629457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.629457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.629457 (E_RNA)
where:
Base-Base interactions energy: -209.326
where: short stacking energy: -90.600
Base-Backbone interact. energy: -0.637
local terms energy: -159.667247
where:
bonds (distance) C4'-P energy: -38.503
bonds (distance) P-C4' energy: -40.377
flat angles C4'-P-C4' energy: -41.498
flat angles P-C4'-P energy: -26.690
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -306.804625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.804625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.804625 (E_RNA)
where:
Base-Base interactions energy: -153.483
where: short stacking energy: -86.126
Base-Backbone interact. energy: 1.832
local terms energy: -155.153462
where:
bonds (distance) C4'-P energy: -35.451
bonds (distance) P-C4' energy: -40.008
flat angles C4'-P-C4' energy: -35.881
flat angles P-C4'-P energy: -29.664
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -209.353434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.353434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.353434 (E_RNA)
where:
Base-Base interactions energy: -75.293
where: short stacking energy: -70.349
Base-Backbone interact. energy: -0.533
local terms energy: -133.527315
where:
bonds (distance) C4'-P energy: -29.995
bonds (distance) P-C4' energy: -47.176
flat angles C4'-P-C4' energy: -33.401
flat angles P-C4'-P energy: -19.319
tors. eta vs tors. theta energy: -3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -197.742706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.742706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.742706 (E_RNA)
where:
Base-Base interactions energy: -85.067
where: short stacking energy: -77.562
Base-Backbone interact. energy: -0.719
local terms energy: -111.956841
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -42.359
flat angles C4'-P-C4' energy: -25.463
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: 8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -207.135595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.135595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.135595 (E_RNA)
where:
Base-Base interactions energy: -86.376
where: short stacking energy: -43.326
Base-Backbone interact. energy: 1.731
local terms energy: -122.490860
where:
bonds (distance) C4'-P energy: -36.198
bonds (distance) P-C4' energy: -36.820
flat angles C4'-P-C4' energy: -39.394
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: 3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -667.984898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.984898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.984898 (E_RNA)
where:
Base-Base interactions energy: -429.581
where: short stacking energy: -208.476
Base-Backbone interact. energy: -0.036
local terms energy: -238.367837
where:
bonds (distance) C4'-P energy: -43.260
bonds (distance) P-C4' energy: -49.783
flat angles C4'-P-C4' energy: -51.445
flat angles P-C4'-P energy: -28.983
tors. eta vs tors. theta energy: -64.897
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: 6
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -596.453224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.453224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.453224 (E_RNA)
where:
Base-Base interactions energy: -392.253
where: short stacking energy: -180.334
Base-Backbone interact. energy: -1.785
local terms energy: -202.415114
where:
bonds (distance) C4'-P energy: -39.158
bonds (distance) P-C4' energy: -42.817
flat angles C4'-P-C4' energy: -47.032
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -44.122
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: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -584.781736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.781736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.781736 (E_RNA)
where:
Base-Base interactions energy: -380.746
where: short stacking energy: -155.126
Base-Backbone interact. energy: 1.211
local terms energy: -205.246489
where:
bonds (distance) C4'-P energy: -47.624
bonds (distance) P-C4' energy: -42.101
flat angles C4'-P-C4' energy: -49.820
flat angles P-C4'-P energy: -27.384
tors. eta vs tors. theta energy: -38.319
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: 110
Temperature: 1.050000
Total energy: -497.993380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.993380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.993380 (E_RNA)
where:
Base-Base interactions energy: -320.558
where: short stacking energy: -154.016
Base-Backbone interact. energy: -0.100
local terms energy: -177.335276
where:
bonds (distance) C4'-P energy: -35.552
bonds (distance) P-C4' energy: -39.092
flat angles C4'-P-C4' energy: -48.916
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -35.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -445.680029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.680029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.680029 (E_RNA)
where:
Base-Base interactions energy: -263.540
where: short stacking energy: -116.668
Base-Backbone interact. energy: -2.417
local terms energy: -179.722992
where:
bonds (distance) C4'-P energy: -37.386
bonds (distance) P-C4' energy: -42.483
flat angles C4'-P-C4' energy: -36.865
flat angles P-C4'-P energy: -29.012
tors. eta vs tors. theta energy: -33.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -414.515727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.515727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.515727 (E_RNA)
where:
Base-Base interactions energy: -242.536
where: short stacking energy: -102.121
Base-Backbone interact. energy: -0.211
local terms energy: -171.768793
where:
bonds (distance) C4'-P energy: -36.558
bonds (distance) P-C4' energy: -42.863
flat angles C4'-P-C4' energy: -42.882
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -319.032310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.032310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.032310 (E_RNA)
where:
Base-Base interactions energy: -165.894
where: short stacking energy: -97.329
Base-Backbone interact. energy: -1.278
local terms energy: -151.859895
where:
bonds (distance) C4'-P energy: -39.750
bonds (distance) P-C4' energy: -34.704
flat angles C4'-P-C4' energy: -34.420
flat angles P-C4'-P energy: -25.275
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -220.673979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.673979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.673979 (E_RNA)
where:
Base-Base interactions energy: -82.434
where: short stacking energy: -65.009
Base-Backbone interact. energy: -0.021
local terms energy: -138.219029
where:
bonds (distance) C4'-P energy: -41.419
bonds (distance) P-C4' energy: -40.455
flat angles C4'-P-C4' energy: -37.948
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -205.566736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.566736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.566736 (E_RNA)
where:
Base-Base interactions energy: -76.294
where: short stacking energy: -49.679
Base-Backbone interact. energy: -2.546
local terms energy: -126.726577
where:
bonds (distance) C4'-P energy: -33.721
bonds (distance) P-C4' energy: -34.650
flat angles C4'-P-C4' energy: -36.990
flat angles P-C4'-P energy: -18.440
tors. eta vs tors. theta energy: -2.925
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: 2
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -197.547771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.547771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.547771 (E_RNA)
where:
Base-Base interactions energy: -80.904
where: short stacking energy: -63.555
Base-Backbone interact. energy: 4.559
local terms energy: -121.203670
where:
bonds (distance) C4'-P energy: -37.325
bonds (distance) P-C4' energy: -33.408
flat angles C4'-P-C4' energy: -36.369
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: 9.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -676.083828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.083828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.083828 (E_RNA)
where:
Base-Base interactions energy: -441.079
where: short stacking energy: -220.076
Base-Backbone interact. energy: -0.737
local terms energy: -234.267362
where:
bonds (distance) C4'-P energy: -43.831
bonds (distance) P-C4' energy: -45.334
flat angles C4'-P-C4' energy: -47.544
flat angles P-C4'-P energy: -31.969
tors. eta vs tors. theta energy: -65.590
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: 2, replica: 3
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -618.413043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.413043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.413043 (E_RNA)
where:
Base-Base interactions energy: -402.129
where: short stacking energy: -194.541
Base-Backbone interact. energy: 0.133
local terms energy: -216.417487
where:
bonds (distance) C4'-P energy: -41.606
bonds (distance) P-C4' energy: -40.616
flat angles C4'-P-C4' energy: -42.050
flat angles P-C4'-P energy: -35.393
tors. eta vs tors. theta energy: -56.753
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: 111
Temperature: 1.000000
Total energy: -566.962950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.962950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.962950 (E_RNA)
where:
Base-Base interactions energy: -354.864
where: short stacking energy: -173.343
Base-Backbone interact. energy: -0.554
local terms energy: -211.545090
where:
bonds (distance) C4'-P energy: -39.025
bonds (distance) P-C4' energy: -49.329
flat angles C4'-P-C4' energy: -44.080
flat angles P-C4'-P energy: -38.811
tors. eta vs tors. theta energy: -40.300
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: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -494.552116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.552116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.552116 (E_RNA)
where:
Base-Base interactions energy: -310.384
where: short stacking energy: -149.444
Base-Backbone interact. energy: 0.047
local terms energy: -184.214234
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -39.862
flat angles C4'-P-C4' energy: -45.988
flat angles P-C4'-P energy: -22.137
tors. eta vs tors. theta energy: -33.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -453.405749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.405749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.405749 (E_RNA)
where:
Base-Base interactions energy: -288.846
where: short stacking energy: -137.078
Base-Backbone interact. energy: 0.255
local terms energy: -164.814621
where:
bonds (distance) C4'-P energy: -35.444
bonds (distance) P-C4' energy: -33.781
flat angles C4'-P-C4' energy: -35.066
flat angles P-C4'-P energy: -29.824
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: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -352.681367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.681367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.681367 (E_RNA)
where:
Base-Base interactions energy: -198.937
where: short stacking energy: -112.855
Base-Backbone interact. energy: 4.196
local terms energy: -157.940422
where:
bonds (distance) C4'-P energy: -36.684
bonds (distance) P-C4' energy: -33.074
flat angles C4'-P-C4' energy: -41.844
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -24.141
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: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -383.372700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.372700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.372700 (E_RNA)
where:
Base-Base interactions energy: -219.142
where: short stacking energy: -107.037
Base-Backbone interact. energy: -1.098
local terms energy: -163.132308
where:
bonds (distance) C4'-P energy: -45.104
bonds (distance) P-C4' energy: -41.943
flat angles C4'-P-C4' energy: -33.485
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -23.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -209.853295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.853295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.853295 (E_RNA)
where:
Base-Base interactions energy: -62.798
where: short stacking energy: -44.441
Base-Backbone interact. energy: 1.837
local terms energy: -148.891703
where:
bonds (distance) C4'-P energy: -45.996
bonds (distance) P-C4' energy: -40.076
flat angles C4'-P-C4' energy: -40.312
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -202.979898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.979898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.979898 (E_RNA)
where:
Base-Base interactions energy: -71.419
where: short stacking energy: -65.520
Base-Backbone interact. energy: -0.141
local terms energy: -131.420247
where:
bonds (distance) C4'-P energy: -32.593
bonds (distance) P-C4' energy: -47.778
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -209.030492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.030492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.030492 (E_RNA)
where:
Base-Base interactions energy: -83.116
where: short stacking energy: -72.929
Base-Backbone interact. energy: -0.752
local terms energy: -125.162071
where:
bonds (distance) C4'-P energy: -40.955
bonds (distance) P-C4' energy: -38.506
flat angles C4'-P-C4' energy: -29.138
flat angles P-C4'-P energy: -23.695
tors. eta vs tors. theta energy: 7.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -679.871197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.871197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.871197 (E_RNA)
where:
Base-Base interactions energy: -447.352
where: short stacking energy: -215.530
Base-Backbone interact. energy: -0.109
local terms energy: -232.410455
where:
bonds (distance) C4'-P energy: -41.046
bonds (distance) P-C4' energy: -44.811
flat angles C4'-P-C4' energy: -52.160
flat angles P-C4'-P energy: -28.492
tors. eta vs tors. theta energy: -65.902
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: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -597.811747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.811747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.811747 (E_RNA)
where:
Base-Base interactions energy: -393.288
where: short stacking energy: -177.547
Base-Backbone interact. energy: -0.141
local terms energy: -204.382603
where:
bonds (distance) C4'-P energy: -35.390
bonds (distance) P-C4' energy: -43.953
flat angles C4'-P-C4' energy: -49.043
flat angles P-C4'-P energy: -27.206
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: 3, replica: 6
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -555.097194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.097194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.097194 (E_RNA)
where:
Base-Base interactions energy: -342.639
where: short stacking energy: -153.662
Base-Backbone interact. energy: -1.088
local terms energy: -211.369380
where:
bonds (distance) C4'-P energy: -43.124
bonds (distance) P-C4' energy: -48.459
flat angles C4'-P-C4' energy: -44.896
flat angles P-C4'-P energy: -31.277
tors. eta vs tors. theta energy: -43.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -510.404878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.404878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.404878 (E_RNA)
where:
Base-Base interactions energy: -326.962
where: short stacking energy: -162.679
Base-Backbone interact. energy: 0.243
local terms energy: -183.685526
where:
bonds (distance) C4'-P energy: -35.051
bonds (distance) P-C4' energy: -32.199
flat angles C4'-P-C4' energy: -45.234
flat angles P-C4'-P energy: -26.928
tors. eta vs tors. theta energy: -44.274
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: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -421.554686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.554686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.554686 (E_RNA)
where:
Base-Base interactions energy: -242.257
where: short stacking energy: -119.498
Base-Backbone interact. energy: -0.893
local terms energy: -178.404234
where:
bonds (distance) C4'-P energy: -36.802
bonds (distance) P-C4' energy: -41.584
flat angles C4'-P-C4' energy: -47.450
flat angles P-C4'-P energy: -25.512
tors. eta vs tors. theta energy: -27.057
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: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -371.935016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.935016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.935016 (E_RNA)
where:
Base-Base interactions energy: -205.181
where: short stacking energy: -95.390
Base-Backbone interact. energy: -1.079
local terms energy: -165.675530
where:
bonds (distance) C4'-P energy: -36.412
bonds (distance) P-C4' energy: -46.253
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -30.253
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -376.371600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.371600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.371600 (E_RNA)
where:
Base-Base interactions energy: -225.975
where: short stacking energy: -107.005
Base-Backbone interact. energy: -0.541
local terms energy: -149.854895
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -42.128
flat angles C4'-P-C4' energy: -34.775
flat angles P-C4'-P energy: -18.515
tors. eta vs tors. theta energy: -18.011
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: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -208.940897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.940897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.940897 (E_RNA)
where:
Base-Base interactions energy: -84.348
where: short stacking energy: -76.134
Base-Backbone interact. energy: 0.265
local terms energy: -124.857729
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -36.412
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -19.991
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -199.604966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.604966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.604966 (E_RNA)
where:
Base-Base interactions energy: -79.809
where: short stacking energy: -48.892
Base-Backbone interact. energy: 1.393
local terms energy: -121.189238
where:
bonds (distance) C4'-P energy: -40.423
bonds (distance) P-C4' energy: -25.664
flat angles C4'-P-C4' energy: -26.852
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -183.388227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.388227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.388227 (E_RNA)
where:
Base-Base interactions energy: -57.024
where: short stacking energy: -55.304
Base-Backbone interact. energy: 1.119
local terms energy: -127.483288
where:
bonds (distance) C4'-P energy: -28.689
bonds (distance) P-C4' energy: -44.110
flat angles C4'-P-C4' energy: -33.609
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -6.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -675.176779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.176779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.176779 (E_RNA)
where:
Base-Base interactions energy: -446.052
where: short stacking energy: -210.575
Base-Backbone interact. energy: -1.787
local terms energy: -227.337630
where:
bonds (distance) C4'-P energy: -33.542
bonds (distance) P-C4' energy: -40.626
flat angles C4'-P-C4' energy: -45.014
flat angles P-C4'-P energy: -38.402
tors. eta vs tors. theta energy: -69.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -595.522261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.522261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.522261 (E_RNA)
where:
Base-Base interactions energy: -385.304
where: short stacking energy: -172.036
Base-Backbone interact. energy: -0.216
local terms energy: -210.002009
where:
bonds (distance) C4'-P energy: -40.082
bonds (distance) P-C4' energy: -41.954
flat angles C4'-P-C4' energy: -47.125
flat angles P-C4'-P energy: -30.953
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: 3, replica: 6
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -586.170891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.170891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.170891 (E_RNA)
where:
Base-Base interactions energy: -371.437
where: short stacking energy: -177.872
Base-Backbone interact. energy: -1.519
local terms energy: -213.214819
where:
bonds (distance) C4'-P energy: -45.545
bonds (distance) P-C4' energy: -42.204
flat angles C4'-P-C4' energy: -47.027
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -50.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -500.201545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.201545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.201545 (E_RNA)
where:
Base-Base interactions energy: -306.616
where: short stacking energy: -151.311
Base-Backbone interact. energy: 0.350
local terms energy: -193.935789
where:
bonds (distance) C4'-P energy: -43.625
bonds (distance) P-C4' energy: -43.600
flat angles C4'-P-C4' energy: -44.095
flat angles P-C4'-P energy: -28.665
tors. eta vs tors. theta energy: -33.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -452.772147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.772147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.772147 (E_RNA)
where:
Base-Base interactions energy: -265.853
where: short stacking energy: -129.156
Base-Backbone interact. energy: -2.099
local terms energy: -184.820089
where:
bonds (distance) C4'-P energy: -40.690
bonds (distance) P-C4' energy: -40.008
flat angles C4'-P-C4' energy: -44.783
flat angles P-C4'-P energy: -30.194
tors. eta vs tors. theta energy: -29.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -414.365885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.365885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.365885 (E_RNA)
where:
Base-Base interactions energy: -243.479
where: short stacking energy: -115.031
Base-Backbone interact. energy: 0.190
local terms energy: -171.077644
where:
bonds (distance) C4'-P energy: -43.355
bonds (distance) P-C4' energy: -35.819
flat angles C4'-P-C4' energy: -32.848
flat angles P-C4'-P energy: -23.890
tors. eta vs tors. theta energy: -35.164
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: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -352.193334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.193334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.193334 (E_RNA)
where:
Base-Base interactions energy: -191.494
where: short stacking energy: -103.171
Base-Backbone interact. energy: -0.774
local terms energy: -159.925986
where:
bonds (distance) C4'-P energy: -40.548
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -33.348
flat angles P-C4'-P energy: -18.390
tors. eta vs tors. theta energy: -20.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -203.127990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.127990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.127990 (E_RNA)
where:
Base-Base interactions energy: -74.715
where: short stacking energy: -70.262
Base-Backbone interact. energy: 0.899
local terms energy: -129.311153
where:
bonds (distance) C4'-P energy: -32.756
bonds (distance) P-C4' energy: -38.937
flat angles C4'-P-C4' energy: -31.173
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: -0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -209.549444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.549444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.549444 (E_RNA)
where:
Base-Base interactions energy: -79.576
where: short stacking energy: -60.620
Base-Backbone interact. energy: -0.546
local terms energy: -129.427822
where:
bonds (distance) C4'-P energy: -38.741
bonds (distance) P-C4' energy: -43.020
flat angles C4'-P-C4' energy: -21.240
flat angles P-C4'-P energy: -24.865
tors. eta vs tors. theta energy: -1.562
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: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -183.672950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.672950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.672950 (E_RNA)
where:
Base-Base interactions energy: -47.049
where: short stacking energy: -48.049
Base-Backbone interact. energy: 0.370
local terms energy: -136.994038
where:
bonds (distance) C4'-P energy: -39.465
bonds (distance) P-C4' energy: -42.167
flat angles C4'-P-C4' energy: -38.013
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: 4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -666.723162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.723162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.723162 (E_RNA)
where:
Base-Base interactions energy: -425.154
where: short stacking energy: -218.722
Base-Backbone interact. energy: -0.683
local terms energy: -240.885984
where:
bonds (distance) C4'-P energy: -45.146
bonds (distance) P-C4' energy: -43.966
flat angles C4'-P-C4' energy: -47.803
flat angles P-C4'-P energy: -35.258
tors. eta vs tors. theta energy: -68.711
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: 3
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -592.402130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.402130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.402130 (E_RNA)
where:
Base-Base interactions energy: -381.996
where: short stacking energy: -163.463
Base-Backbone interact. energy: -0.655
local terms energy: -209.751495
where:
bonds (distance) C4'-P energy: -40.587
bonds (distance) P-C4' energy: -47.771
flat angles C4'-P-C4' energy: -50.496
flat angles P-C4'-P energy: -30.266
tors. eta vs tors. theta energy: -40.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -573.068705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.068705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.068705 (E_RNA)
where:
Base-Base interactions energy: -361.315
where: short stacking energy: -173.431
Base-Backbone interact. energy: -1.739
local terms energy: -210.014646
where:
bonds (distance) C4'-P energy: -36.662
bonds (distance) P-C4' energy: -47.086
flat angles C4'-P-C4' energy: -46.333
flat angles P-C4'-P energy: -27.742
tors. eta vs tors. theta energy: -52.192
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: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -464.002458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.002458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.002458 (E_RNA)
where:
Base-Base interactions energy: -289.906
where: short stacking energy: -144.102
Base-Backbone interact. energy: 1.693
local terms energy: -175.790066
where:
bonds (distance) C4'-P energy: -30.911
bonds (distance) P-C4' energy: -41.534
flat angles C4'-P-C4' energy: -46.014
flat angles P-C4'-P energy: -25.819
tors. eta vs tors. theta energy: -31.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -487.498454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.498454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.498454 (E_RNA)
where:
Base-Base interactions energy: -306.278
where: short stacking energy: -153.498
Base-Backbone interact. energy: -0.481
local terms energy: -180.739272
where:
bonds (distance) C4'-P energy: -34.979
bonds (distance) P-C4' energy: -43.637
flat angles C4'-P-C4' energy: -32.444
flat angles P-C4'-P energy: -29.901
tors. eta vs tors. theta energy: -39.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -433.278297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.278297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.278297 (E_RNA)
where:
Base-Base interactions energy: -254.700
where: short stacking energy: -116.750
Base-Backbone interact. energy: -0.386
local terms energy: -178.192479
where:
bonds (distance) C4'-P energy: -41.269
bonds (distance) P-C4' energy: -41.342
flat angles C4'-P-C4' energy: -45.213
flat angles P-C4'-P energy: -22.899
tors. eta vs tors. theta energy: -27.469
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: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -326.644961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.644961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.644961 (E_RNA)
where:
Base-Base interactions energy: -170.710
where: short stacking energy: -96.863
Base-Backbone interact. energy: -1.192
local terms energy: -154.743497
where:
bonds (distance) C4'-P energy: -45.705
bonds (distance) P-C4' energy: -29.485
flat angles C4'-P-C4' energy: -33.507
flat angles P-C4'-P energy: -22.357
tors. eta vs tors. theta energy: -23.689
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: 8, replica: 2
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -211.711940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.711940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.711940 (E_RNA)
where:
Base-Base interactions energy: -79.329
where: short stacking energy: -66.031
Base-Backbone interact. energy: -0.432
local terms energy: -131.951516
where:
bonds (distance) C4'-P energy: -30.594
bonds (distance) P-C4' energy: -37.547
flat angles C4'-P-C4' energy: -37.962
flat angles P-C4'-P energy: -23.689
tors. eta vs tors. theta energy: -2.159
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: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -182.732584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.732584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.732584 (E_RNA)
where:
Base-Base interactions energy: -58.546
where: short stacking energy: -46.171
Base-Backbone interact. energy: -1.074
local terms energy: -123.113551
where:
bonds (distance) C4'-P energy: -31.865
bonds (distance) P-C4' energy: -42.721
flat angles C4'-P-C4' energy: -34.825
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: 10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -187.329607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.329607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.329607 (E_RNA)
where:
Base-Base interactions energy: -60.350
where: short stacking energy: -55.178
Base-Backbone interact. energy: -0.389
local terms energy: -126.590427
where:
bonds (distance) C4'-P energy: -39.363
bonds (distance) P-C4' energy: -35.312
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -21.228
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -662.606915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.606915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.606915 (E_RNA)
where:
Base-Base interactions energy: -427.119
where: short stacking energy: -201.968
Base-Backbone interact. energy: -1.687
local terms energy: -233.800420
where:
bonds (distance) C4'-P energy: -46.721
bonds (distance) P-C4' energy: -50.686
flat angles C4'-P-C4' energy: -49.647
flat angles P-C4'-P energy: -25.866
tors. eta vs tors. theta energy: -60.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -610.958373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.958373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.958373 (E_RNA)
where:
Base-Base interactions energy: -390.241
where: short stacking energy: -188.738
Base-Backbone interact. energy: -1.104
local terms energy: -219.613384
where:
bonds (distance) C4'-P energy: -37.843
bonds (distance) P-C4' energy: -47.268
flat angles C4'-P-C4' energy: -46.507
flat angles P-C4'-P energy: -32.915
tors. eta vs tors. theta energy: -55.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -575.324016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.324016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.324016 (E_RNA)
where:
Base-Base interactions energy: -375.193
where: short stacking energy: -175.901
Base-Backbone interact. energy: -0.343
local terms energy: -199.788179
where:
bonds (distance) C4'-P energy: -43.123
bonds (distance) P-C4' energy: -47.159
flat angles C4'-P-C4' energy: -38.401
flat angles P-C4'-P energy: -27.818
tors. eta vs tors. theta energy: -43.288
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: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -529.879866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.879866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.879866 (E_RNA)
where:
Base-Base interactions energy: -346.364
where: short stacking energy: -158.122
Base-Backbone interact. energy: -0.824
local terms energy: -182.691755
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -42.420
flat angles C4'-P-C4' energy: -41.144
flat angles P-C4'-P energy: -21.068
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: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -474.218733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.218733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.218733 (E_RNA)
where:
Base-Base interactions energy: -279.826
where: short stacking energy: -145.355
Base-Backbone interact. energy: -0.809
local terms energy: -193.582974
where:
bonds (distance) C4'-P energy: -42.323
bonds (distance) P-C4' energy: -40.971
flat angles C4'-P-C4' energy: -44.020
flat angles P-C4'-P energy: -29.979
tors. eta vs tors. theta energy: -36.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -427.782941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.782941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.782941 (E_RNA)
where:
Base-Base interactions energy: -267.051
where: short stacking energy: -125.967
Base-Backbone interact. energy: -0.853
local terms energy: -159.878866
where:
bonds (distance) C4'-P energy: -29.343
bonds (distance) P-C4' energy: -34.030
flat angles C4'-P-C4' energy: -38.003
flat angles P-C4'-P energy: -26.283
tors. eta vs tors. theta energy: -32.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -324.998717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.998717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.998717 (E_RNA)
where:
Base-Base interactions energy: -174.128
where: short stacking energy: -103.243
Base-Backbone interact. energy: -0.303
local terms energy: -150.567732
where:
bonds (distance) C4'-P energy: -33.128
bonds (distance) P-C4' energy: -42.288
flat angles C4'-P-C4' energy: -36.454
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -231.363379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.363379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.363379 (E_RNA)
where:
Base-Base interactions energy: -122.023
where: short stacking energy: -70.461
Base-Backbone interact. energy: 0.528
local terms energy: -109.868674
where:
bonds (distance) C4'-P energy: -33.208
bonds (distance) P-C4' energy: -34.815
flat angles C4'-P-C4' energy: -39.527
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: 7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -191.634111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.634111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.634111 (E_RNA)
where:
Base-Base interactions energy: -76.071
where: short stacking energy: -50.715
Base-Backbone interact. energy: -0.360
local terms energy: -115.203304
where:
bonds (distance) C4'-P energy: -26.700
bonds (distance) P-C4' energy: -42.514
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -179.571338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.571338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.571338 (E_RNA)
where:
Base-Base interactions energy: -65.867
where: short stacking energy: -63.087
Base-Backbone interact. energy: 2.479
local terms energy: -116.184135
where:
bonds (distance) C4'-P energy: -30.272
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -30.837
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -10.826
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: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -681.293573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.293573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.293573 (E_RNA)
where:
Base-Base interactions energy: -449.119
where: short stacking energy: -211.974
Base-Backbone interact. energy: 0.265
local terms energy: -232.439823
where:
bonds (distance) C4'-P energy: -44.637
bonds (distance) P-C4' energy: -48.326
flat angles C4'-P-C4' energy: -45.189
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: -62.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -582.831708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.831708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.831708 (E_RNA)
where:
Base-Base interactions energy: -378.817
where: short stacking energy: -177.011
Base-Backbone interact. energy: 0.824
local terms energy: -204.838703
where:
bonds (distance) C4'-P energy: -38.392
bonds (distance) P-C4' energy: -39.310
flat angles C4'-P-C4' energy: -43.685
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -49.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -565.088453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.088453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.088453 (E_RNA)
where:
Base-Base interactions energy: -358.082
where: short stacking energy: -166.167
Base-Backbone interact. energy: -0.570
local terms energy: -206.436275
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -37.748
flat angles C4'-P-C4' energy: -44.084
flat angles P-C4'-P energy: -35.422
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: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -523.549107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.549107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.549107 (E_RNA)
where:
Base-Base interactions energy: -336.611
where: short stacking energy: -160.850
Base-Backbone interact. energy: 2.285
local terms energy: -189.223271
where:
bonds (distance) C4'-P energy: -39.025
bonds (distance) P-C4' energy: -43.627
flat angles C4'-P-C4' energy: -40.529
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: -40.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -460.753792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.753792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.753792 (E_RNA)
where:
Base-Base interactions energy: -265.139
where: short stacking energy: -133.231
Base-Backbone interact. energy: -1.119
local terms energy: -194.495633
where:
bonds (distance) C4'-P energy: -44.564
bonds (distance) P-C4' energy: -42.790
flat angles C4'-P-C4' energy: -42.640
flat angles P-C4'-P energy: -25.166
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: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -459.512296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.512296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.512296 (E_RNA)
where:
Base-Base interactions energy: -270.817
where: short stacking energy: -136.072
Base-Backbone interact. energy: 0.045
local terms energy: -188.740393
where:
bonds (distance) C4'-P energy: -38.455
bonds (distance) P-C4' energy: -48.409
flat angles C4'-P-C4' energy: -45.263
flat angles P-C4'-P energy: -28.988
tors. eta vs tors. theta energy: -27.627
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: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -322.953805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.953805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.953805 (E_RNA)
where:
Base-Base interactions energy: -173.660
where: short stacking energy: -95.544
Base-Backbone interact. energy: 0.340
local terms energy: -149.633462
where:
bonds (distance) C4'-P energy: -40.026
bonds (distance) P-C4' energy: -31.746
flat angles C4'-P-C4' energy: -34.605
flat angles P-C4'-P energy: -30.853
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -270.540356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.540356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.540356 (E_RNA)
where:
Base-Base interactions energy: -140.738
where: short stacking energy: -81.445
Base-Backbone interact. energy: 0.157
local terms energy: -129.958992
where:
bonds (distance) C4'-P energy: -35.004
bonds (distance) P-C4' energy: -36.207
flat angles C4'-P-C4' energy: -31.640
flat angles P-C4'-P energy: -25.055
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: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -218.871831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.871831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.871831 (E_RNA)
where:
Base-Base interactions energy: -76.073
where: short stacking energy: -63.293
Base-Backbone interact. energy: -0.746
local terms energy: -142.052829
where:
bonds (distance) C4'-P energy: -41.150
bonds (distance) P-C4' energy: -40.895
flat angles C4'-P-C4' energy: -34.640
flat angles P-C4'-P energy: -20.051
tors. eta vs tors. theta energy: -5.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -183.993371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.993371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.993371 (E_RNA)
where:
Base-Base interactions energy: -67.213
where: short stacking energy: -41.339
Base-Backbone interact. energy: -0.272
local terms energy: -116.508349
where:
bonds (distance) C4'-P energy: -38.006
bonds (distance) P-C4' energy: -43.563
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: 6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -682.011641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.011641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.011641 (E_RNA)
where:
Base-Base interactions energy: -447.970
where: short stacking energy: -216.734
Base-Backbone interact. energy: -0.060
local terms energy: -233.980740
where:
bonds (distance) C4'-P energy: -44.538
bonds (distance) P-C4' energy: -49.073
flat angles C4'-P-C4' energy: -50.885
flat angles P-C4'-P energy: -20.724
tors. eta vs tors. theta energy: -68.761
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: 117
Temperature: 0.950000
Total energy: -598.889366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.889366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.889366 (E_RNA)
where:
Base-Base interactions energy: -380.228
where: short stacking energy: -182.277
Base-Backbone interact. energy: -3.637
local terms energy: -215.024017
where:
bonds (distance) C4'-P energy: -41.238
bonds (distance) P-C4' energy: -44.719
flat angles C4'-P-C4' energy: -40.957
flat angles P-C4'-P energy: -33.967
tors. eta vs tors. theta energy: -54.143
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: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -567.017330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.017330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.017330 (E_RNA)
where:
Base-Base interactions energy: -364.680
where: short stacking energy: -165.484
Base-Backbone interact. energy: 0.978
local terms energy: -203.315492
where:
bonds (distance) C4'-P energy: -45.869
bonds (distance) P-C4' energy: -39.628
flat angles C4'-P-C4' energy: -46.262
flat angles P-C4'-P energy: -24.349
tors. eta vs tors. theta energy: -47.207
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: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -546.923557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.923557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.923557 (E_RNA)
where:
Base-Base interactions energy: -352.647
where: short stacking energy: -173.377
Base-Backbone interact. energy: 0.171
local terms energy: -194.447222
where:
bonds (distance) C4'-P energy: -38.011
bonds (distance) P-C4' energy: -35.558
flat angles C4'-P-C4' energy: -44.474
flat angles P-C4'-P energy: -31.399
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: 5, replica: 7
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -440.479259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.479259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.479259 (E_RNA)
where:
Base-Base interactions energy: -259.456
where: short stacking energy: -125.779
Base-Backbone interact. energy: 2.876
local terms energy: -183.899458
where:
bonds (distance) C4'-P energy: -43.254
bonds (distance) P-C4' energy: -48.854
flat angles C4'-P-C4' energy: -39.324
flat angles P-C4'-P energy: -24.101
tors. eta vs tors. theta energy: -28.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -454.877176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.877176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.877176 (E_RNA)
where:
Base-Base interactions energy: -286.636
where: short stacking energy: -130.418
Base-Backbone interact. energy: -0.039
local terms energy: -168.202463
where:
bonds (distance) C4'-P energy: -33.678
bonds (distance) P-C4' energy: -31.951
flat angles C4'-P-C4' energy: -39.123
flat angles P-C4'-P energy: -26.853
tors. eta vs tors. theta energy: -36.598
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: 7, replica: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -325.280761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.280761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.280761 (E_RNA)
where:
Base-Base interactions energy: -162.580
where: short stacking energy: -103.618
Base-Backbone interact. energy: -0.908
local terms energy: -161.792894
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -50.686
flat angles P-C4'-P energy: -26.991
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -264.043355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.043355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.043355 (E_RNA)
where:
Base-Base interactions energy: -125.248
where: short stacking energy: -63.424
Base-Backbone interact. energy: -1.468
local terms energy: -137.326897
where:
bonds (distance) C4'-P energy: -26.989
bonds (distance) P-C4' energy: -41.651
flat angles C4'-P-C4' energy: -44.644
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: -1.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -199.882226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.882226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.882226 (E_RNA)
where:
Base-Base interactions energy: -68.918
where: short stacking energy: -59.272
Base-Backbone interact. energy: 0.292
local terms energy: -131.256155
where:
bonds (distance) C4'-P energy: -34.751
bonds (distance) P-C4' energy: -37.977
flat angles C4'-P-C4' energy: -33.002
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -181.643430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.643430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.643430 (E_RNA)
where:
Base-Base interactions energy: -50.121
where: short stacking energy: -44.523
Base-Backbone interact. energy: -0.685
local terms energy: -130.836554
where:
bonds (distance) C4'-P energy: -36.046
bonds (distance) P-C4' energy: -28.503
flat angles C4'-P-C4' energy: -41.157
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -662.517421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.517421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.517421 (E_RNA)
where:
Base-Base interactions energy: -444.432
where: short stacking energy: -202.031
Base-Backbone interact. energy: -0.372
local terms energy: -217.713757
where:
bonds (distance) C4'-P energy: -40.446
bonds (distance) P-C4' energy: -42.213
flat angles C4'-P-C4' energy: -45.700
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -58.968
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: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -596.889838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.889838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.889838 (E_RNA)
where:
Base-Base interactions energy: -389.068
where: short stacking energy: -182.522
Base-Backbone interact. energy: -0.549
local terms energy: -207.273055
where:
bonds (distance) C4'-P energy: -38.824
bonds (distance) P-C4' energy: -44.772
flat angles C4'-P-C4' energy: -41.869
flat angles P-C4'-P energy: -30.704
tors. eta vs tors. theta energy: -51.104
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: 118
Temperature: 1.000000
Total energy: -548.397881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.397881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.397881 (E_RNA)
where:
Base-Base interactions energy: -332.748
where: short stacking energy: -166.507
Base-Backbone interact. energy: 0.164
local terms energy: -215.813738
where:
bonds (distance) C4'-P energy: -43.824
bonds (distance) P-C4' energy: -47.034
flat angles C4'-P-C4' energy: -46.619
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: -47.835
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: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -545.035759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.035759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.035759 (E_RNA)
where:
Base-Base interactions energy: -339.069
where: short stacking energy: -157.648
Base-Backbone interact. energy: -0.257
local terms energy: -205.709343
where:
bonds (distance) C4'-P energy: -35.664
bonds (distance) P-C4' energy: -44.178
flat angles C4'-P-C4' energy: -43.006
flat angles P-C4'-P energy: -32.472
tors. eta vs tors. theta energy: -50.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -482.708394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.708394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.708394 (E_RNA)
where:
Base-Base interactions energy: -308.214
where: short stacking energy: -140.780
Base-Backbone interact. energy: -0.675
local terms energy: -173.819529
where:
bonds (distance) C4'-P energy: -37.754
bonds (distance) P-C4' energy: -36.425
flat angles C4'-P-C4' energy: -40.343
flat angles P-C4'-P energy: -21.315
tors. eta vs tors. theta energy: -37.982
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: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -428.577583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.577583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.577583 (E_RNA)
where:
Base-Base interactions energy: -259.856
where: short stacking energy: -134.353
Base-Backbone interact. energy: 0.102
local terms energy: -168.823554
where:
bonds (distance) C4'-P energy: -43.243
bonds (distance) P-C4' energy: -35.407
flat angles C4'-P-C4' energy: -37.472
flat angles P-C4'-P energy: -19.110
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: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -334.238576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.238576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.238576 (E_RNA)
where:
Base-Base interactions energy: -177.395
where: short stacking energy: -76.996
Base-Backbone interact. energy: -0.945
local terms energy: -155.898173
where:
bonds (distance) C4'-P energy: -39.290
bonds (distance) P-C4' energy: -43.597
flat angles C4'-P-C4' energy: -41.948
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -11.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -285.742661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.742661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.742661 (E_RNA)
where:
Base-Base interactions energy: -151.643
where: short stacking energy: -95.700
Base-Backbone interact. energy: 2.055
local terms energy: -136.154768
where:
bonds (distance) C4'-P energy: -41.161
bonds (distance) P-C4' energy: -37.625
flat angles C4'-P-C4' energy: -24.410
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -8.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -208.334343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.334343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.334343 (E_RNA)
where:
Base-Base interactions energy: -76.705
where: short stacking energy: -68.396
Base-Backbone interact. energy: 0.832
local terms energy: -132.461224
where:
bonds (distance) C4'-P energy: -38.981
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -33.342
flat angles P-C4'-P energy: -19.681
tors. eta vs tors. theta energy: -4.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -192.649832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.649832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.649832 (E_RNA)
where:
Base-Base interactions energy: -72.946
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.959
local terms energy: -118.745060
where:
bonds (distance) C4'-P energy: -42.148
bonds (distance) P-C4' energy: -44.380
flat angles C4'-P-C4' energy: -26.473
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: 6.426
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: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -670.257292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.257292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.257292 (E_RNA)
where:
Base-Base interactions energy: -438.774
where: short stacking energy: -212.814
Base-Backbone interact. energy: -0.488
local terms energy: -230.995249
where:
bonds (distance) C4'-P energy: -43.278
bonds (distance) P-C4' energy: -47.115
flat angles C4'-P-C4' energy: -48.145
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: -60.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -614.679076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.679076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.679076 (E_RNA)
where:
Base-Base interactions energy: -401.533
where: short stacking energy: -171.536
Base-Backbone interact. energy: -1.448
local terms energy: -211.697745
where:
bonds (distance) C4'-P energy: -39.067
bonds (distance) P-C4' energy: -43.124
flat angles C4'-P-C4' energy: -48.429
flat angles P-C4'-P energy: -32.056
tors. eta vs tors. theta energy: -49.021
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: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -561.760586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.760586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.760586 (E_RNA)
where:
Base-Base interactions energy: -355.167
where: short stacking energy: -162.988
Base-Backbone interact. energy: 0.455
local terms energy: -207.048161
where:
bonds (distance) C4'-P energy: -33.144
bonds (distance) P-C4' energy: -42.248
flat angles C4'-P-C4' energy: -47.812
flat angles P-C4'-P energy: -33.426
tors. eta vs tors. theta energy: -50.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -532.583536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.583536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.583536 (E_RNA)
where:
Base-Base interactions energy: -341.215
where: short stacking energy: -162.073
Base-Backbone interact. energy: 0.181
local terms energy: -191.549046
where:
bonds (distance) C4'-P energy: -39.344
bonds (distance) P-C4' energy: -44.191
flat angles C4'-P-C4' energy: -32.554
flat angles P-C4'-P energy: -29.724
tors. eta vs tors. theta energy: -45.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -488.909830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.909830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.909830 (E_RNA)
where:
Base-Base interactions energy: -310.040
where: short stacking energy: -137.690
Base-Backbone interact. energy: 0.601
local terms energy: -179.470733
where:
bonds (distance) C4'-P energy: -41.877
bonds (distance) P-C4' energy: -35.616
flat angles C4'-P-C4' energy: -36.287
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -36.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -424.981697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.981697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.981697 (E_RNA)
where:
Base-Base interactions energy: -256.794
where: short stacking energy: -121.735
Base-Backbone interact. energy: -0.980
local terms energy: -167.207620
where:
bonds (distance) C4'-P energy: -36.345
bonds (distance) P-C4' energy: -40.818
flat angles C4'-P-C4' energy: -35.613
flat angles P-C4'-P energy: -23.635
tors. eta vs tors. theta energy: -30.797
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: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -311.401994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.401994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.401994 (E_RNA)
where:
Base-Base interactions energy: -178.401
where: short stacking energy: -98.044
Base-Backbone interact. energy: 0.538
local terms energy: -133.539475
where:
bonds (distance) C4'-P energy: -35.775
bonds (distance) P-C4' energy: -39.292
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -18.855
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -296.480058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.480058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.480058 (E_RNA)
where:
Base-Base interactions energy: -142.218
where: short stacking energy: -87.537
Base-Backbone interact. energy: -2.042
local terms energy: -152.220011
where:
bonds (distance) C4'-P energy: -30.301
bonds (distance) P-C4' energy: -43.568
flat angles C4'-P-C4' energy: -35.762
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -15.899
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: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -184.333318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.333318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.333318 (E_RNA)
where:
Base-Base interactions energy: -56.377
where: short stacking energy: -42.999
Base-Backbone interact. energy: 0.629
local terms energy: -128.585252
where:
bonds (distance) C4'-P energy: -35.730
bonds (distance) P-C4' energy: -50.403
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -25.803
tors. eta vs tors. theta energy: 11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -213.727349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.727349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.727349 (E_RNA)
where:
Base-Base interactions energy: -71.986
where: short stacking energy: -60.507
Base-Backbone interact. energy: 3.277
local terms energy: -145.017608
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -27.757
tors. eta vs tors. theta energy: -5.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -641.158097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.158097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.158097 (E_RNA)
where:
Base-Base interactions energy: -427.961
where: short stacking energy: -203.603
Base-Backbone interact. energy: 0.332
local terms energy: -213.529524
where:
bonds (distance) C4'-P energy: -38.795
bonds (distance) P-C4' energy: -43.538
flat angles C4'-P-C4' energy: -40.881
flat angles P-C4'-P energy: -32.783
tors. eta vs tors. theta energy: -57.532
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: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -596.236648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.236648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.236648 (E_RNA)
where:
Base-Base interactions energy: -378.212
where: short stacking energy: -176.162
Base-Backbone interact. energy: -1.740
local terms energy: -216.284851
where:
bonds (distance) C4'-P energy: -44.725
bonds (distance) P-C4' energy: -49.051
flat angles C4'-P-C4' energy: -48.123
flat angles P-C4'-P energy: -20.630
tors. eta vs tors. theta energy: -53.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -584.188790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.188790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.188790 (E_RNA)
where:
Base-Base interactions energy: -367.577
where: short stacking energy: -188.717
Base-Backbone interact. energy: -0.357
local terms energy: -216.254987
where:
bonds (distance) C4'-P energy: -42.162
bonds (distance) P-C4' energy: -41.912
flat angles C4'-P-C4' energy: -51.947
flat angles P-C4'-P energy: -27.617
tors. eta vs tors. theta energy: -52.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -525.465466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.465466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.465466 (E_RNA)
where:
Base-Base interactions energy: -337.734
where: short stacking energy: -163.527
Base-Backbone interact. energy: -0.944
local terms energy: -186.787166
where:
bonds (distance) C4'-P energy: -29.926
bonds (distance) P-C4' energy: -47.077
flat angles C4'-P-C4' energy: -38.350
flat angles P-C4'-P energy: -24.862
tors. eta vs tors. theta energy: -46.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -504.546377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.546377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.546377 (E_RNA)
where:
Base-Base interactions energy: -305.718
where: short stacking energy: -138.063
Base-Backbone interact. energy: -1.094
local terms energy: -197.733848
where:
bonds (distance) C4'-P energy: -42.625
bonds (distance) P-C4' energy: -39.988
flat angles C4'-P-C4' energy: -51.144
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: -34.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -416.319957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.319957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.319957 (E_RNA)
where:
Base-Base interactions energy: -253.291
where: short stacking energy: -107.336
Base-Backbone interact. energy: -0.566
local terms energy: -162.462824
where:
bonds (distance) C4'-P energy: -41.936
bonds (distance) P-C4' energy: -37.259
flat angles C4'-P-C4' energy: -38.208
flat angles P-C4'-P energy: -30.089
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -307.003625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.003625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.003625 (E_RNA)
where:
Base-Base interactions energy: -158.310
where: short stacking energy: -86.772
Base-Backbone interact. energy: -0.847
local terms energy: -147.847121
where:
bonds (distance) C4'-P energy: -36.910
bonds (distance) P-C4' energy: -25.407
flat angles C4'-P-C4' energy: -42.952
flat angles P-C4'-P energy: -32.481
tors. eta vs tors. theta energy: -10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -292.859320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.859320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.859320 (E_RNA)
where:
Base-Base interactions energy: -133.183
where: short stacking energy: -70.275
Base-Backbone interact. energy: -0.435
local terms energy: -159.241519
where:
bonds (distance) C4'-P energy: -37.393
bonds (distance) P-C4' energy: -43.054
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -29.203
tors. eta vs tors. theta energy: -9.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -195.995133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.995133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.995133 (E_RNA)
where:
Base-Base interactions energy: -51.190
where: short stacking energy: -47.774
Base-Backbone interact. energy: 0.352
local terms energy: -145.157265
where:
bonds (distance) C4'-P energy: -42.875
bonds (distance) P-C4' energy: -48.789
flat angles C4'-P-C4' energy: -33.541
flat angles P-C4'-P energy: -22.170
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: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -184.582295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.582295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.582295 (E_RNA)
where:
Base-Base interactions energy: -63.887
where: short stacking energy: -57.626
Base-Backbone interact. energy: 0.686
local terms energy: -121.381624
where:
bonds (distance) C4'-P energy: -34.430
bonds (distance) P-C4' energy: -42.301
flat angles C4'-P-C4' energy: -28.831
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -3.997
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: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -663.158942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.158942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.158942 (E_RNA)
where:
Base-Base interactions energy: -435.883
where: short stacking energy: -210.910
Base-Backbone interact. energy: -0.364
local terms energy: -226.911976
where:
bonds (distance) C4'-P energy: -37.732
bonds (distance) P-C4' energy: -46.005
flat angles C4'-P-C4' energy: -52.271
flat angles P-C4'-P energy: -29.772
tors. eta vs tors. theta energy: -61.133
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: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -598.948656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.948656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.948656 (E_RNA)
where:
Base-Base interactions energy: -402.484
where: short stacking energy: -159.751
Base-Backbone interact. energy: -0.164
local terms energy: -196.300903
where:
bonds (distance) C4'-P energy: -38.988
bonds (distance) P-C4' energy: -43.744
flat angles C4'-P-C4' energy: -44.250
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: -43.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -574.665759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.665759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.665759 (E_RNA)
where:
Base-Base interactions energy: -366.291
where: short stacking energy: -161.316
Base-Backbone interact. energy: 0.902
local terms energy: -209.275893
where:
bonds (distance) C4'-P energy: -41.635
bonds (distance) P-C4' energy: -44.988
flat angles C4'-P-C4' energy: -44.261
flat angles P-C4'-P energy: -30.687
tors. eta vs tors. theta energy: -47.705
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: 121
Temperature: 1.050000
Total energy: -506.386207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.386207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.386207 (E_RNA)
where:
Base-Base interactions energy: -325.262
where: short stacking energy: -138.905
Base-Backbone interact. energy: -0.687
local terms energy: -180.437509
where:
bonds (distance) C4'-P energy: -31.440
bonds (distance) P-C4' energy: -40.342
flat angles C4'-P-C4' energy: -42.603
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -30.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -533.036800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.036800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.036800 (E_RNA)
where:
Base-Base interactions energy: -327.708
where: short stacking energy: -158.508
Base-Backbone interact. energy: -0.573
local terms energy: -204.755923
where:
bonds (distance) C4'-P energy: -43.099
bonds (distance) P-C4' energy: -43.960
flat angles C4'-P-C4' energy: -41.933
flat angles P-C4'-P energy: -32.160
tors. eta vs tors. theta energy: -43.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -451.878495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.878495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.878495 (E_RNA)
where:
Base-Base interactions energy: -277.004
where: short stacking energy: -151.418
Base-Backbone interact. energy: -0.833
local terms energy: -174.041998
where:
bonds (distance) C4'-P energy: -43.864
bonds (distance) P-C4' energy: -36.087
flat angles C4'-P-C4' energy: -38.863
flat angles P-C4'-P energy: -18.183
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: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -299.986262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.986262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.986262 (E_RNA)
where:
Base-Base interactions energy: -150.362
where: short stacking energy: -92.156
Base-Backbone interact. energy: -0.706
local terms energy: -148.918437
where:
bonds (distance) C4'-P energy: -34.150
bonds (distance) P-C4' energy: -45.478
flat angles C4'-P-C4' energy: -36.684
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -11.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -303.185463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.185463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.185463 (E_RNA)
where:
Base-Base interactions energy: -152.643
where: short stacking energy: -91.197
Base-Backbone interact. energy: 0.598
local terms energy: -151.140200
where:
bonds (distance) C4'-P energy: -43.468
bonds (distance) P-C4' energy: -36.955
flat angles C4'-P-C4' energy: -34.246
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -187.017124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.017124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.017124 (E_RNA)
where:
Base-Base interactions energy: -63.762
where: short stacking energy: -48.084
Base-Backbone interact. energy: -0.956
local terms energy: -122.299591
where:
bonds (distance) C4'-P energy: -38.819
bonds (distance) P-C4' energy: -36.768
flat angles C4'-P-C4' energy: -32.136
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -199.046242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.046242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.046242 (E_RNA)
where:
Base-Base interactions energy: -75.468
where: short stacking energy: -67.928
Base-Backbone interact. energy: -0.708
local terms energy: -122.870017
where:
bonds (distance) C4'-P energy: -26.347
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -34.677
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -670.459834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.459834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.459834 (E_RNA)
where:
Base-Base interactions energy: -448.273
where: short stacking energy: -216.174
Base-Backbone interact. energy: -0.473
local terms energy: -221.714087
where:
bonds (distance) C4'-P energy: -40.062
bonds (distance) P-C4' energy: -40.411
flat angles C4'-P-C4' energy: -50.638
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: -62.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -605.742378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.742378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.742378 (E_RNA)
where:
Base-Base interactions energy: -406.059
where: short stacking energy: -169.891
Base-Backbone interact. energy: -2.996
local terms energy: -196.687777
where:
bonds (distance) C4'-P energy: -39.468
bonds (distance) P-C4' energy: -44.523
flat angles C4'-P-C4' energy: -40.512
flat angles P-C4'-P energy: -25.511
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: 3, replica: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -560.824610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.824610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.824610 (E_RNA)
where:
Base-Base interactions energy: -363.610
where: short stacking energy: -164.964
Base-Backbone interact. energy: -0.381
local terms energy: -196.833874
where:
bonds (distance) C4'-P energy: -44.915
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -47.412
flat angles P-C4'-P energy: -24.250
tors. eta vs tors. theta energy: -48.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -509.032065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.032065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.032065 (E_RNA)
where:
Base-Base interactions energy: -322.943
where: short stacking energy: -145.175
Base-Backbone interact. energy: -0.726
local terms energy: -185.362718
where:
bonds (distance) C4'-P energy: -41.901
bonds (distance) P-C4' energy: -36.531
flat angles C4'-P-C4' energy: -42.449
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -33.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -556.918120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.918120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.918120 (E_RNA)
where:
Base-Base interactions energy: -359.839
where: short stacking energy: -170.723
Base-Backbone interact. energy: -0.168
local terms energy: -196.910769
where:
bonds (distance) C4'-P energy: -43.890
bonds (distance) P-C4' energy: -40.280
flat angles C4'-P-C4' energy: -37.821
flat angles P-C4'-P energy: -21.679
tors. eta vs tors. theta energy: -53.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -436.267460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.267460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.267460 (E_RNA)
where:
Base-Base interactions energy: -266.317
where: short stacking energy: -130.209
Base-Backbone interact. energy: -0.504
local terms energy: -169.446272
where:
bonds (distance) C4'-P energy: -39.973
bonds (distance) P-C4' energy: -40.201
flat angles C4'-P-C4' energy: -44.825
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -22.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -309.214731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.214731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.214731 (E_RNA)
where:
Base-Base interactions energy: -157.173
where: short stacking energy: -87.306
Base-Backbone interact. energy: -0.126
local terms energy: -151.915423
where:
bonds (distance) C4'-P energy: -30.543
bonds (distance) P-C4' energy: -39.572
flat angles C4'-P-C4' energy: -48.222
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -275.560085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.560085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.560085 (E_RNA)
where:
Base-Base interactions energy: -122.365
where: short stacking energy: -62.619
Base-Backbone interact. energy: -1.152
local terms energy: -152.042950
where:
bonds (distance) C4'-P energy: -37.213
bonds (distance) P-C4' energy: -41.898
flat angles C4'-P-C4' energy: -40.520
flat angles P-C4'-P energy: -29.550
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: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -246.157182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.157182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.157182 (E_RNA)
where:
Base-Base interactions energy: -106.117
where: short stacking energy: -69.733
Base-Backbone interact. energy: -1.427
local terms energy: -138.612753
where:
bonds (distance) C4'-P energy: -43.403
bonds (distance) P-C4' energy: -30.490
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -29.228
tors. eta vs tors. theta energy: -5.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -191.482248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.482248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.482248 (E_RNA)
where:
Base-Base interactions energy: -65.551
where: short stacking energy: -62.376
Base-Backbone interact. energy: 0.965
local terms energy: -126.896146
where:
bonds (distance) C4'-P energy: -37.481
bonds (distance) P-C4' energy: -41.314
flat angles C4'-P-C4' energy: -27.061
flat angles P-C4'-P energy: -29.035
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: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -671.543451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.543451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.543451 (E_RNA)
where:
Base-Base interactions energy: -453.871
where: short stacking energy: -208.251
Base-Backbone interact. energy: 0.962
local terms energy: -218.634702
where:
bonds (distance) C4'-P energy: -36.131
bonds (distance) P-C4' energy: -40.305
flat angles C4'-P-C4' energy: -47.066
flat angles P-C4'-P energy: -34.956
tors. eta vs tors. theta energy: -60.177
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: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -580.146453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.146453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.146453 (E_RNA)
where:
Base-Base interactions energy: -380.053
where: short stacking energy: -159.291
Base-Backbone interact. energy: -2.518
local terms energy: -197.575337
where:
bonds (distance) C4'-P energy: -42.259
bonds (distance) P-C4' energy: -44.128
flat angles C4'-P-C4' energy: -41.346
flat angles P-C4'-P energy: -25.548
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: 3, replica: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -543.916815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.916815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.916815 (E_RNA)
where:
Base-Base interactions energy: -341.749
where: short stacking energy: -156.463
Base-Backbone interact. energy: -0.282
local terms energy: -201.886378
where:
bonds (distance) C4'-P energy: -43.240
bonds (distance) P-C4' energy: -48.225
flat angles C4'-P-C4' energy: -37.526
flat angles P-C4'-P energy: -29.064
tors. eta vs tors. theta energy: -43.832
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: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -570.527088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.527088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.527088 (E_RNA)
where:
Base-Base interactions energy: -372.410
where: short stacking energy: -181.870
Base-Backbone interact. energy: -0.034
local terms energy: -198.083332
where:
bonds (distance) C4'-P energy: -39.958
bonds (distance) P-C4' energy: -38.912
flat angles C4'-P-C4' energy: -38.742
flat angles P-C4'-P energy: -31.722
tors. eta vs tors. theta energy: -48.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -498.931321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.931321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.931321 (E_RNA)
where:
Base-Base interactions energy: -326.233
where: short stacking energy: -141.348
Base-Backbone interact. energy: 3.741
local terms energy: -176.439331
where:
bonds (distance) C4'-P energy: -25.023
bonds (distance) P-C4' energy: -36.970
flat angles C4'-P-C4' energy: -48.284
flat angles P-C4'-P energy: -31.515
tors. eta vs tors. theta energy: -34.647
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: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -443.956698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.956698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.956698 (E_RNA)
where:
Base-Base interactions energy: -276.871
where: short stacking energy: -135.969
Base-Backbone interact. energy: 0.880
local terms energy: -167.965463
where:
bonds (distance) C4'-P energy: -37.193
bonds (distance) P-C4' energy: -39.406
flat angles C4'-P-C4' energy: -39.925
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -29.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -327.821894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.821894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.821894 (E_RNA)
where:
Base-Base interactions energy: -175.469
where: short stacking energy: -111.172
Base-Backbone interact. energy: -0.139
local terms energy: -152.214682
where:
bonds (distance) C4'-P energy: -27.669
bonds (distance) P-C4' energy: -42.938
flat angles C4'-P-C4' energy: -35.581
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -23.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -216.237516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.237516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.237516 (E_RNA)
where:
Base-Base interactions energy: -80.137
where: short stacking energy: -70.124
Base-Backbone interact. energy: -0.153
local terms energy: -135.947576
where:
bonds (distance) C4'-P energy: -35.720
bonds (distance) P-C4' energy: -45.203
flat angles C4'-P-C4' energy: -27.426
flat angles P-C4'-P energy: -19.016
tors. eta vs tors. theta energy: -8.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -265.138724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.138724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.138724 (E_RNA)
where:
Base-Base interactions energy: -126.949
where: short stacking energy: -67.016
Base-Backbone interact. energy: 0.481
local terms energy: -138.670397
where:
bonds (distance) C4'-P energy: -32.442
bonds (distance) P-C4' energy: -40.753
flat angles C4'-P-C4' energy: -37.249
flat angles P-C4'-P energy: -21.019
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -183.669130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.669130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.669130 (E_RNA)
where:
Base-Base interactions energy: -76.033
where: short stacking energy: -57.285
Base-Backbone interact. energy: -0.581
local terms energy: -107.055054
where:
bonds (distance) C4'-P energy: -28.958
bonds (distance) P-C4' energy: -32.514
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: 1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -665.501614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.501614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.501614 (E_RNA)
where:
Base-Base interactions energy: -444.752
where: short stacking energy: -197.388
Base-Backbone interact. energy: 0.031
local terms energy: -220.780979
where:
bonds (distance) C4'-P energy: -40.655
bonds (distance) P-C4' energy: -46.359
flat angles C4'-P-C4' energy: -48.558
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: -52.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -600.133003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.133003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.133003 (E_RNA)
where:
Base-Base interactions energy: -396.589
where: short stacking energy: -171.423
Base-Backbone interact. energy: -1.887
local terms energy: -201.657152
where:
bonds (distance) C4'-P energy: -44.003
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -42.275
flat angles P-C4'-P energy: -20.483
tors. eta vs tors. theta energy: -45.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -586.807358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.807358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.807358 (E_RNA)
where:
Base-Base interactions energy: -384.542
where: short stacking energy: -176.703
Base-Backbone interact. energy: -0.139
local terms energy: -202.126978
where:
bonds (distance) C4'-P energy: -30.575
bonds (distance) P-C4' energy: -48.076
flat angles C4'-P-C4' energy: -46.995
flat angles P-C4'-P energy: -26.168
tors. eta vs tors. theta energy: -50.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -568.194601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.194601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.194601 (E_RNA)
where:
Base-Base interactions energy: -358.480
where: short stacking energy: -164.148
Base-Backbone interact. energy: -1.360
local terms energy: -208.354260
where:
bonds (distance) C4'-P energy: -42.686
bonds (distance) P-C4' energy: -34.738
flat angles C4'-P-C4' energy: -46.324
flat angles P-C4'-P energy: -36.446
tors. eta vs tors. theta energy: -48.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -506.635932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.635932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.635932 (E_RNA)
where:
Base-Base interactions energy: -323.771
where: short stacking energy: -143.408
Base-Backbone interact. energy: -0.147
local terms energy: -182.717611
where:
bonds (distance) C4'-P energy: -39.813
bonds (distance) P-C4' energy: -36.088
flat angles C4'-P-C4' energy: -42.177
flat angles P-C4'-P energy: -31.838
tors. eta vs tors. theta energy: -32.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -404.754041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.754041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.754041 (E_RNA)
where:
Base-Base interactions energy: -242.604
where: short stacking energy: -118.229
Base-Backbone interact. energy: -0.794
local terms energy: -161.356016
where:
bonds (distance) C4'-P energy: -40.283
bonds (distance) P-C4' energy: -45.884
flat angles C4'-P-C4' energy: -39.977
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -23.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -351.450175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.450175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.450175 (E_RNA)
where:
Base-Base interactions energy: -204.617
where: short stacking energy: -106.557
Base-Backbone interact. energy: -0.566
local terms energy: -146.266992
where:
bonds (distance) C4'-P energy: -22.629
bonds (distance) P-C4' energy: -40.067
flat angles C4'-P-C4' energy: -41.206
flat angles P-C4'-P energy: -24.884
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -216.167687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.167687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.167687 (E_RNA)
where:
Base-Base interactions energy: -77.237
where: short stacking energy: -66.689
Base-Backbone interact. energy: -0.708
local terms energy: -138.222654
where:
bonds (distance) C4'-P energy: -34.968
bonds (distance) P-C4' energy: -43.825
flat angles C4'-P-C4' energy: -26.944
flat angles P-C4'-P energy: -28.074
tors. eta vs tors. theta energy: -4.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -193.864654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.864654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.864654 (E_RNA)
where:
Base-Base interactions energy: -64.776
where: short stacking energy: -53.411
Base-Backbone interact. energy: -0.620
local terms energy: -128.468048
where:
bonds (distance) C4'-P energy: -42.897
bonds (distance) P-C4' energy: -36.800
flat angles C4'-P-C4' energy: -37.787
flat angles P-C4'-P energy: -20.178
tors. eta vs tors. theta energy: 9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -280.313493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.313493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.313493 (E_RNA)
where:
Base-Base interactions energy: -146.396
where: short stacking energy: -70.518
Base-Backbone interact. energy: 0.673
local terms energy: -134.590199
where:
bonds (distance) C4'-P energy: -36.164
bonds (distance) P-C4' energy: -37.236
flat angles C4'-P-C4' energy: -37.114
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -655.668963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.668963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.668963 (E_RNA)
where:
Base-Base interactions energy: -430.166
where: short stacking energy: -206.772
Base-Backbone interact. energy: -1.170
local terms energy: -224.332767
where:
bonds (distance) C4'-P energy: -37.319
bonds (distance) P-C4' energy: -43.985
flat angles C4'-P-C4' energy: -48.240
flat angles P-C4'-P energy: -32.565
tors. eta vs tors. theta energy: -62.224
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: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -604.199452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.199452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.199452 (E_RNA)
where:
Base-Base interactions energy: -387.199
where: short stacking energy: -176.445
Base-Backbone interact. energy: -0.409
local terms energy: -216.591581
where:
bonds (distance) C4'-P energy: -49.007
bonds (distance) P-C4' energy: -46.770
flat angles C4'-P-C4' energy: -42.543
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -50.252
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: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -574.182767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.182767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.182767 (E_RNA)
where:
Base-Base interactions energy: -395.343
where: short stacking energy: -162.456
Base-Backbone interact. energy: -0.094
local terms energy: -178.745336
where:
bonds (distance) C4'-P energy: -28.467
bonds (distance) P-C4' energy: -44.962
flat angles C4'-P-C4' energy: -42.386
flat angles P-C4'-P energy: -20.978
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: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -569.172438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.172438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.172438 (E_RNA)
where:
Base-Base interactions energy: -374.383
where: short stacking energy: -165.843
Base-Backbone interact. energy: -0.336
local terms energy: -194.452818
where:
bonds (distance) C4'-P energy: -33.428
bonds (distance) P-C4' energy: -37.548
flat angles C4'-P-C4' energy: -49.901
flat angles P-C4'-P energy: -33.739
tors. eta vs tors. theta energy: -39.838
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: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -484.182468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.182468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.182468 (E_RNA)
where:
Base-Base interactions energy: -294.895
where: short stacking energy: -142.515
Base-Backbone interact. energy: -0.279
local terms energy: -189.008815
where:
bonds (distance) C4'-P energy: -36.728
bonds (distance) P-C4' energy: -43.112
flat angles C4'-P-C4' energy: -41.651
flat angles P-C4'-P energy: -32.069
tors. eta vs tors. theta energy: -35.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -416.890065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.890065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.890065 (E_RNA)
where:
Base-Base interactions energy: -253.799
where: short stacking energy: -122.395
Base-Backbone interact. energy: 1.174
local terms energy: -164.264812
where:
bonds (distance) C4'-P energy: -42.362
bonds (distance) P-C4' energy: -36.801
flat angles C4'-P-C4' energy: -36.795
flat angles P-C4'-P energy: -23.239
tors. eta vs tors. theta energy: -25.066
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: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -363.174838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.174838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.174838 (E_RNA)
where:
Base-Base interactions energy: -205.197
where: short stacking energy: -106.060
Base-Backbone interact. energy: 0.256
local terms energy: -158.234212
where:
bonds (distance) C4'-P energy: -35.449
bonds (distance) P-C4' energy: -35.260
flat angles C4'-P-C4' energy: -39.872
flat angles P-C4'-P energy: -26.792
tors. eta vs tors. theta energy: -20.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -255.628403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.628403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.628403 (E_RNA)
where:
Base-Base interactions energy: -118.621
where: short stacking energy: -83.263
Base-Backbone interact. energy: 3.162
local terms energy: -140.168884
where:
bonds (distance) C4'-P energy: -37.964
bonds (distance) P-C4' energy: -38.072
flat angles C4'-P-C4' energy: -32.188
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -8.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -217.469441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.469441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.469441 (E_RNA)
where:
Base-Base interactions energy: -95.841
where: short stacking energy: -87.109
Base-Backbone interact. energy: 0.967
local terms energy: -122.596139
where:
bonds (distance) C4'-P energy: -30.359
bonds (distance) P-C4' energy: -35.030
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -28.116
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -268.696534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.696534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.696534 (E_RNA)
where:
Base-Base interactions energy: -129.380
where: short stacking energy: -83.413
Base-Backbone interact. energy: 0.013
local terms energy: -139.330267
where:
bonds (distance) C4'-P energy: -31.372
bonds (distance) P-C4' energy: -38.095
flat angles C4'-P-C4' energy: -33.419
flat angles P-C4'-P energy: -30.917
tors. eta vs tors. theta energy: -5.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -662.368992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.368992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.368992 (E_RNA)
where:
Base-Base interactions energy: -441.857
where: short stacking energy: -205.258
Base-Backbone interact. energy: -0.464
local terms energy: -220.047429
where:
bonds (distance) C4'-P energy: -47.915
bonds (distance) P-C4' energy: -34.648
flat angles C4'-P-C4' energy: -47.402
flat angles P-C4'-P energy: -30.426
tors. eta vs tors. theta energy: -59.657
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: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -602.088072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.088072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.088072 (E_RNA)
where:
Base-Base interactions energy: -376.126
where: short stacking energy: -183.013
Base-Backbone interact. energy: -0.221
local terms energy: -225.740593
where:
bonds (distance) C4'-P energy: -38.453
bonds (distance) P-C4' energy: -52.395
flat angles C4'-P-C4' energy: -45.564
flat angles P-C4'-P energy: -32.213
tors. eta vs tors. theta energy: -57.116
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: 126
Temperature: 1.000000
Total energy: -590.545683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.545683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.545683 (E_RNA)
where:
Base-Base interactions energy: -377.266
where: short stacking energy: -158.205
Base-Backbone interact. energy: 4.447
local terms energy: -217.726747
where:
bonds (distance) C4'-P energy: -50.660
bonds (distance) P-C4' energy: -43.728
flat angles C4'-P-C4' energy: -44.699
flat angles P-C4'-P energy: -34.887
tors. eta vs tors. theta energy: -43.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -576.479307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.479307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.479307 (E_RNA)
where:
Base-Base interactions energy: -365.325
where: short stacking energy: -179.506
Base-Backbone interact. energy: -0.405
local terms energy: -210.748792
where:
bonds (distance) C4'-P energy: -47.827
bonds (distance) P-C4' energy: -37.572
flat angles C4'-P-C4' energy: -44.745
flat angles P-C4'-P energy: -32.766
tors. eta vs tors. theta energy: -47.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -485.917555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.917555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.917555 (E_RNA)
where:
Base-Base interactions energy: -310.774
where: short stacking energy: -146.936
Base-Backbone interact. energy: -1.196
local terms energy: -173.947677
where:
bonds (distance) C4'-P energy: -34.973
bonds (distance) P-C4' energy: -36.562
flat angles C4'-P-C4' energy: -42.256
flat angles P-C4'-P energy: -26.261
tors. eta vs tors. theta energy: -33.896
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: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -407.797494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.797494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.797494 (E_RNA)
where:
Base-Base interactions energy: -237.283
where: short stacking energy: -113.916
Base-Backbone interact. energy: -0.869
local terms energy: -169.645592
where:
bonds (distance) C4'-P energy: -31.842
bonds (distance) P-C4' energy: -40.439
flat angles C4'-P-C4' energy: -44.236
flat angles P-C4'-P energy: -23.610
tors. eta vs tors. theta energy: -29.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -335.272261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.272261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.272261 (E_RNA)
where:
Base-Base interactions energy: -195.534
where: short stacking energy: -104.211
Base-Backbone interact. energy: 0.306
local terms energy: -140.044690
where:
bonds (distance) C4'-P energy: -27.094
bonds (distance) P-C4' energy: -45.149
flat angles C4'-P-C4' energy: -41.048
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -14.996
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: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -279.369730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.369730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.369730 (E_RNA)
where:
Base-Base interactions energy: -144.197
where: short stacking energy: -84.804
Base-Backbone interact. energy: -0.244
local terms energy: -134.928653
where:
bonds (distance) C4'-P energy: -32.259
bonds (distance) P-C4' energy: -31.870
flat angles C4'-P-C4' energy: -32.543
flat angles P-C4'-P energy: -26.347
tors. eta vs tors. theta energy: -11.909
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: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -261.224049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.224049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.224049 (E_RNA)
where:
Base-Base interactions energy: -123.704
where: short stacking energy: -67.304
Base-Backbone interact. energy: 3.783
local terms energy: -141.302495
where:
bonds (distance) C4'-P energy: -38.974
bonds (distance) P-C4' energy: -33.598
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -25.528
tors. eta vs tors. theta energy: -12.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -176.322783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.322783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.322783 (E_RNA)
where:
Base-Base interactions energy: -56.632
where: short stacking energy: -52.831
Base-Backbone interact. energy: 1.695
local terms energy: -121.385176
where:
bonds (distance) C4'-P energy: -40.682
bonds (distance) P-C4' energy: -37.199
flat angles C4'-P-C4' energy: -22.546
flat angles P-C4'-P energy: -24.487
tors. eta vs tors. theta energy: 3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -652.924254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.924254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.924254 (E_RNA)
where:
Base-Base interactions energy: -422.261
where: short stacking energy: -196.779
Base-Backbone interact. energy: -1.055
local terms energy: -229.608763
where:
bonds (distance) C4'-P energy: -42.379
bonds (distance) P-C4' energy: -50.503
flat angles C4'-P-C4' energy: -48.119
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: -56.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -593.279137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.279137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.279137 (E_RNA)
where:
Base-Base interactions energy: -369.952
where: short stacking energy: -168.404
Base-Backbone interact. energy: -0.046
local terms energy: -223.281275
where:
bonds (distance) C4'-P energy: -47.302
bonds (distance) P-C4' energy: -43.684
flat angles C4'-P-C4' energy: -47.750
flat angles P-C4'-P energy: -35.963
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: 3, replica: 6
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -600.519353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.519353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.519353 (E_RNA)
where:
Base-Base interactions energy: -403.537
where: short stacking energy: -173.365
Base-Backbone interact. energy: -0.003
local terms energy: -196.979349
where:
bonds (distance) C4'-P energy: -33.175
bonds (distance) P-C4' energy: -42.344
flat angles C4'-P-C4' energy: -44.497
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -47.047
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: 127
Temperature: 1.050000
Total energy: -567.831074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.831074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.831074 (E_RNA)
where:
Base-Base interactions energy: -359.823
where: short stacking energy: -166.088
Base-Backbone interact. energy: 1.683
local terms energy: -209.690555
where:
bonds (distance) C4'-P energy: -38.651
bonds (distance) P-C4' energy: -41.188
flat angles C4'-P-C4' energy: -44.859
flat angles P-C4'-P energy: -32.686
tors. eta vs tors. theta energy: -52.306
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: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -512.564583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.564583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.564583 (E_RNA)
where:
Base-Base interactions energy: -326.023
where: short stacking energy: -146.138
Base-Backbone interact. energy: 0.870
local terms energy: -187.411639
where:
bonds (distance) C4'-P energy: -41.053
bonds (distance) P-C4' energy: -41.333
flat angles C4'-P-C4' energy: -46.379
flat angles P-C4'-P energy: -23.350
tors. eta vs tors. theta energy: -35.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -408.351721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.351721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.351721 (E_RNA)
where:
Base-Base interactions energy: -241.518
where: short stacking energy: -137.984
Base-Backbone interact. energy: -0.189
local terms energy: -166.644921
where:
bonds (distance) C4'-P energy: -37.087
bonds (distance) P-C4' energy: -41.732
flat angles C4'-P-C4' energy: -37.620
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -30.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -320.335939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.335939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.335939 (E_RNA)
where:
Base-Base interactions energy: -173.639
where: short stacking energy: -96.478
Base-Backbone interact. energy: 0.098
local terms energy: -146.795352
where:
bonds (distance) C4'-P energy: -35.816
bonds (distance) P-C4' energy: -37.574
flat angles C4'-P-C4' energy: -34.116
flat angles P-C4'-P energy: -25.837
tors. eta vs tors. theta energy: -13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -195.668571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.668571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.668571 (E_RNA)
where:
Base-Base interactions energy: -63.078
where: short stacking energy: -47.796
Base-Backbone interact. energy: -0.757
local terms energy: -131.833101
where:
bonds (distance) C4'-P energy: -44.898
bonds (distance) P-C4' energy: -48.832
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -247.008543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.008543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.008543 (E_RNA)
where:
Base-Base interactions energy: -132.982
where: short stacking energy: -81.416
Base-Backbone interact. energy: -0.774
local terms energy: -113.252531
where:
bonds (distance) C4'-P energy: -34.771
bonds (distance) P-C4' energy: -34.397
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -208.260146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.260146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.260146 (E_RNA)
where:
Base-Base interactions energy: -77.755
where: short stacking energy: -74.461
Base-Backbone interact. energy: 2.590
local terms energy: -133.095454
where:
bonds (distance) C4'-P energy: -33.098
bonds (distance) P-C4' energy: -37.293
flat angles C4'-P-C4' energy: -27.889
flat angles P-C4'-P energy: -17.555
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: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -664.409734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.409734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.409734 (E_RNA)
where:
Base-Base interactions energy: -430.114
where: short stacking energy: -212.203
Base-Backbone interact. energy: -1.544
local terms energy: -232.751674
where:
bonds (distance) C4'-P energy: -38.678
bonds (distance) P-C4' energy: -42.599
flat angles C4'-P-C4' energy: -49.754
flat angles P-C4'-P energy: -34.568
tors. eta vs tors. theta energy: -67.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -605.315699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.315699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.315699 (E_RNA)
where:
Base-Base interactions energy: -388.307
where: short stacking energy: -185.284
Base-Backbone interact. energy: -0.202
local terms energy: -216.806748
where:
bonds (distance) C4'-P energy: -46.052
bonds (distance) P-C4' energy: -47.464
flat angles C4'-P-C4' energy: -40.390
flat angles P-C4'-P energy: -33.213
tors. eta vs tors. theta energy: -49.687
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: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -576.250956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.250956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.250956 (E_RNA)
where:
Base-Base interactions energy: -367.994
where: short stacking energy: -165.027
Base-Backbone interact. energy: -1.884
local terms energy: -206.373265
where:
bonds (distance) C4'-P energy: -45.418
bonds (distance) P-C4' energy: -39.573
flat angles C4'-P-C4' energy: -44.015
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -53.981
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: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -548.755026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.755026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.755026 (E_RNA)
where:
Base-Base interactions energy: -342.308
where: short stacking energy: -159.109
Base-Backbone interact. energy: 1.223
local terms energy: -207.670310
where:
bonds (distance) C4'-P energy: -44.320
bonds (distance) P-C4' energy: -42.644
flat angles C4'-P-C4' energy: -41.002
flat angles P-C4'-P energy: -33.065
tors. eta vs tors. theta energy: -46.638
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: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -507.532370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.532370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.532370 (E_RNA)
where:
Base-Base interactions energy: -317.511
where: short stacking energy: -136.497
Base-Backbone interact. energy: 3.300
local terms energy: -193.321867
where:
bonds (distance) C4'-P energy: -49.036
bonds (distance) P-C4' energy: -44.344
flat angles C4'-P-C4' energy: -41.410
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -35.184
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: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -407.913584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.913584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.913584 (E_RNA)
where:
Base-Base interactions energy: -235.770
where: short stacking energy: -128.306
Base-Backbone interact. energy: 0.364
local terms energy: -172.507023
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -43.256
flat angles C4'-P-C4' energy: -44.803
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: -27.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -337.165566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.165566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.165566 (E_RNA)
where:
Base-Base interactions energy: -196.744
where: short stacking energy: -108.862
Base-Backbone interact. energy: 0.632
local terms energy: -141.053259
where:
bonds (distance) C4'-P energy: -36.662
bonds (distance) P-C4' energy: -40.797
flat angles C4'-P-C4' energy: -33.044
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -212.711935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.711935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.711935 (E_RNA)
where:
Base-Base interactions energy: -67.262
where: short stacking energy: -47.018
Base-Backbone interact. energy: -0.680
local terms energy: -144.769706
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -40.456
flat angles C4'-P-C4' energy: -36.693
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -248.141654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.141654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.141654 (E_RNA)
where:
Base-Base interactions energy: -104.370
where: short stacking energy: -72.788
Base-Backbone interact. energy: -2.029
local terms energy: -141.742517
where:
bonds (distance) C4'-P energy: -37.457
bonds (distance) P-C4' energy: -35.869
flat angles C4'-P-C4' energy: -44.263
flat angles P-C4'-P energy: -18.942
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -177.332460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.332460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.332460 (E_RNA)
where:
Base-Base interactions energy: -50.788
where: short stacking energy: -49.312
Base-Backbone interact. energy: -0.374
local terms energy: -126.170612
where:
bonds (distance) C4'-P energy: -27.187
bonds (distance) P-C4' energy: -39.005
flat angles C4'-P-C4' energy: -33.200
flat angles P-C4'-P energy: -27.524
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -672.518729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.518729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.518729 (E_RNA)
where:
Base-Base interactions energy: -432.658
where: short stacking energy: -224.854
Base-Backbone interact. energy: -0.229
local terms energy: -239.632467
where:
bonds (distance) C4'-P energy: -40.496
bonds (distance) P-C4' energy: -48.011
flat angles C4'-P-C4' energy: -52.804
flat angles P-C4'-P energy: -30.594
tors. eta vs tors. theta energy: -67.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -594.209915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.209915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.209915 (E_RNA)
where:
Base-Base interactions energy: -389.785
where: short stacking energy: -173.354
Base-Backbone interact. energy: -0.036
local terms energy: -204.389590
where:
bonds (distance) C4'-P energy: -40.325
bonds (distance) P-C4' energy: -36.865
flat angles C4'-P-C4' energy: -46.804
flat angles P-C4'-P energy: -25.802
tors. eta vs tors. theta energy: -54.594
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: 6
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -560.080448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.080448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.080448 (E_RNA)
where:
Base-Base interactions energy: -372.837
where: short stacking energy: -161.770
Base-Backbone interact. energy: -0.821
local terms energy: -186.422590
where:
bonds (distance) C4'-P energy: -33.514
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -40.855
flat angles P-C4'-P energy: -33.969
tors. eta vs tors. theta energy: -47.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -539.864695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.864695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.864695 (E_RNA)
where:
Base-Base interactions energy: -342.085
where: short stacking energy: -158.338
Base-Backbone interact. energy: -0.804
local terms energy: -196.976407
where:
bonds (distance) C4'-P energy: -39.206
bonds (distance) P-C4' energy: -42.398
flat angles C4'-P-C4' energy: -46.353
flat angles P-C4'-P energy: -32.081
tors. eta vs tors. theta energy: -36.938
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: 129
Temperature: 1.100000
Total energy: -522.599838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.599838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.599838 (E_RNA)
where:
Base-Base interactions energy: -351.315
where: short stacking energy: -138.809
Base-Backbone interact. energy: -0.502
local terms energy: -170.782470
where:
bonds (distance) C4'-P energy: -32.479
bonds (distance) P-C4' energy: -41.954
flat angles C4'-P-C4' energy: -40.948
flat angles P-C4'-P energy: -22.798
tors. eta vs tors. theta energy: -32.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -432.328595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.328595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.328595 (E_RNA)
where:
Base-Base interactions energy: -258.586
where: short stacking energy: -147.298
Base-Backbone interact. energy: -0.351
local terms energy: -173.390904
where:
bonds (distance) C4'-P energy: -35.535
bonds (distance) P-C4' energy: -41.600
flat angles C4'-P-C4' energy: -41.517
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -39.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -311.600782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.600782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.600782 (E_RNA)
where:
Base-Base interactions energy: -168.530
where: short stacking energy: -99.875
Base-Backbone interact. energy: -0.337
local terms energy: -142.733615
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -40.796
flat angles C4'-P-C4' energy: -29.058
flat angles P-C4'-P energy: -23.675
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -256.121358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.121358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.121358 (E_RNA)
where:
Base-Base interactions energy: -125.919
where: short stacking energy: -79.191
Base-Backbone interact. energy: 0.901
local terms energy: -131.103042
where:
bonds (distance) C4'-P energy: -25.622
bonds (distance) P-C4' energy: -40.048
flat angles C4'-P-C4' energy: -41.386
flat angles P-C4'-P energy: -24.379
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: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -196.015110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.015110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.015110 (E_RNA)
where:
Base-Base interactions energy: -67.012
where: short stacking energy: -64.938
Base-Backbone interact. energy: -1.060
local terms energy: -127.943465
where:
bonds (distance) C4'-P energy: -35.142
bonds (distance) P-C4' energy: -39.196
flat angles C4'-P-C4' energy: -25.280
flat angles P-C4'-P energy: -21.845
tors. eta vs tors. theta energy: -6.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -180.975590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.975590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.975590 (E_RNA)
where:
Base-Base interactions energy: -63.707
where: short stacking energy: -52.957
Base-Backbone interact. energy: 0.077
local terms energy: -117.345603
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -25.507
flat angles C4'-P-C4' energy: -34.941
flat angles P-C4'-P energy: -21.487
tors. eta vs tors. theta energy: 6.019
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: 1, replica: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -658.895816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.895816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.895816 (E_RNA)
where:
Base-Base interactions energy: -427.417
where: short stacking energy: -221.202
Base-Backbone interact. energy: -1.249
local terms energy: -230.228923
where:
bonds (distance) C4'-P energy: -40.873
bonds (distance) P-C4' energy: -43.958
flat angles C4'-P-C4' energy: -50.088
flat angles P-C4'-P energy: -29.022
tors. eta vs tors. theta energy: -66.289
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: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -597.776386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.776386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.776386 (E_RNA)
where:
Base-Base interactions energy: -378.408
where: short stacking energy: -169.010
Base-Backbone interact. energy: 0.225
local terms energy: -219.593222
where:
bonds (distance) C4'-P energy: -44.966
bonds (distance) P-C4' energy: -45.291
flat angles C4'-P-C4' energy: -42.387
flat angles P-C4'-P energy: -36.697
tors. eta vs tors. theta energy: -50.252
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: 3, replica: 3
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -554.148537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.148537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.148537 (E_RNA)
where:
Base-Base interactions energy: -357.727
where: short stacking energy: -135.327
Base-Backbone interact. energy: -1.492
local terms energy: -194.930014
where:
bonds (distance) C4'-P energy: -41.278
bonds (distance) P-C4' energy: -49.936
flat angles C4'-P-C4' energy: -44.174
flat angles P-C4'-P energy: -29.331
tors. eta vs tors. theta energy: -30.211
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: 130
Temperature: 1.050000
Total energy: -526.985463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.985463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.985463 (E_RNA)
where:
Base-Base interactions energy: -342.534
where: short stacking energy: -139.538
Base-Backbone interact. energy: -0.964
local terms energy: -183.487569
where:
bonds (distance) C4'-P energy: -39.976
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -44.067
flat angles P-C4'-P energy: -30.197
tors. eta vs tors. theta energy: -35.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -530.844225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.844225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.844225 (E_RNA)
where:
Base-Base interactions energy: -349.477
where: short stacking energy: -151.396
Base-Backbone interact. energy: 0.195
local terms energy: -181.562700
where:
bonds (distance) C4'-P energy: -36.508
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -46.337
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -38.166
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: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -440.244550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.244550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.244550 (E_RNA)
where:
Base-Base interactions energy: -270.254
where: short stacking energy: -139.550
Base-Backbone interact. energy: 2.187
local terms energy: -172.178011
where:
bonds (distance) C4'-P energy: -33.256
bonds (distance) P-C4' energy: -45.279
flat angles C4'-P-C4' energy: -37.406
flat angles P-C4'-P energy: -23.464
tors. eta vs tors. theta energy: -32.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -324.740471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.740471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.740471 (E_RNA)
where:
Base-Base interactions energy: -159.693
where: short stacking energy: -89.250
Base-Backbone interact. energy: -0.852
local terms energy: -164.195159
where:
bonds (distance) C4'-P energy: -40.760
bonds (distance) P-C4' energy: -47.976
flat angles C4'-P-C4' energy: -36.754
flat angles P-C4'-P energy: -28.893
tors. eta vs tors. theta energy: -9.813
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: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -262.957321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.957321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.957321 (E_RNA)
where:
Base-Base interactions energy: -114.455
where: short stacking energy: -77.044
Base-Backbone interact. energy: 0.861
local terms energy: -149.363432
where:
bonds (distance) C4'-P energy: -42.804
bonds (distance) P-C4' energy: -38.686
flat angles C4'-P-C4' energy: -39.834
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -213.044139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.044139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.044139 (E_RNA)
where:
Base-Base interactions energy: -81.400
where: short stacking energy: -72.204
Base-Backbone interact. energy: -0.456
local terms energy: -131.188387
where:
bonds (distance) C4'-P energy: -37.203
bonds (distance) P-C4' energy: -42.262
flat angles C4'-P-C4' energy: -30.711
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -185.337173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.337173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.337173 (E_RNA)
where:
Base-Base interactions energy: -74.026
where: short stacking energy: -39.600
Base-Backbone interact. energy: -1.336
local terms energy: -109.975215
where:
bonds (distance) C4'-P energy: -35.450
bonds (distance) P-C4' energy: -39.076
flat angles C4'-P-C4' energy: -39.672
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: 13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -673.218688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.218688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.218688 (E_RNA)
where:
Base-Base interactions energy: -448.630
where: short stacking energy: -217.280
Base-Backbone interact. energy: 0.439
local terms energy: -225.028290
where:
bonds (distance) C4'-P energy: -39.116
bonds (distance) P-C4' energy: -39.948
flat angles C4'-P-C4' energy: -50.566
flat angles P-C4'-P energy: -26.167
tors. eta vs tors. theta energy: -69.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -617.209319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.209319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.209319 (E_RNA)
where:
Base-Base interactions energy: -407.271
where: short stacking energy: -191.050
Base-Backbone interact. energy: 0.368
local terms energy: -210.306966
where:
bonds (distance) C4'-P energy: -36.414
bonds (distance) P-C4' energy: -43.665
flat angles C4'-P-C4' energy: -51.100
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: -54.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -551.090366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.090366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.090366 (E_RNA)
where:
Base-Base interactions energy: -347.099
where: short stacking energy: -166.530
Base-Backbone interact. energy: -0.237
local terms energy: -203.754758
where:
bonds (distance) C4'-P energy: -40.541
bonds (distance) P-C4' energy: -44.376
flat angles C4'-P-C4' energy: -46.984
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -41.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -553.868643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.868643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.868643 (E_RNA)
where:
Base-Base interactions energy: -361.775
where: short stacking energy: -153.276
Base-Backbone interact. energy: -1.391
local terms energy: -190.702140
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -41.577
flat angles C4'-P-C4' energy: -39.555
flat angles P-C4'-P energy: -32.343
tors. eta vs tors. theta energy: -41.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -488.728115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.728115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.728115 (E_RNA)
where:
Base-Base interactions energy: -300.059
where: short stacking energy: -123.406
Base-Backbone interact. energy: 1.166
local terms energy: -189.835286
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -45.441
flat angles C4'-P-C4' energy: -43.757
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: -27.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -421.916939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.916939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.916939 (E_RNA)
where:
Base-Base interactions energy: -249.496
where: short stacking energy: -116.989
Base-Backbone interact. energy: -0.853
local terms energy: -171.568435
where:
bonds (distance) C4'-P energy: -37.681
bonds (distance) P-C4' energy: -45.699
flat angles C4'-P-C4' energy: -38.005
flat angles P-C4'-P energy: -27.602
tors. eta vs tors. theta energy: -22.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -300.049337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.049337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.049337 (E_RNA)
where:
Base-Base interactions energy: -151.738
where: short stacking energy: -87.020
Base-Backbone interact. energy: -0.943
local terms energy: -147.368360
where:
bonds (distance) C4'-P energy: -37.357
bonds (distance) P-C4' energy: -35.888
flat angles C4'-P-C4' energy: -32.425
flat angles P-C4'-P energy: -28.511
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -283.676481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.676481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.676481 (E_RNA)
where:
Base-Base interactions energy: -139.285
where: short stacking energy: -81.071
Base-Backbone interact. energy: 1.845
local terms energy: -146.236783
where:
bonds (distance) C4'-P energy: -44.233
bonds (distance) P-C4' energy: -41.883
flat angles C4'-P-C4' energy: -36.103
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -8.137
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: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -187.958884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.958884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.958884 (E_RNA)
where:
Base-Base interactions energy: -65.303
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.938
local terms energy: -121.717597
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -39.019
flat angles C4'-P-C4' energy: -34.847
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -187.004415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.004415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.004415 (E_RNA)
where:
Base-Base interactions energy: -59.489
where: short stacking energy: -49.828
Base-Backbone interact. energy: -0.791
local terms energy: -126.724983
where:
bonds (distance) C4'-P energy: -35.461
bonds (distance) P-C4' energy: -39.747
flat angles C4'-P-C4' energy: -31.089
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: 2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -681.113978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.113978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.113978 (E_RNA)
where:
Base-Base interactions energy: -445.518
where: short stacking energy: -221.488
Base-Backbone interact. energy: -0.966
local terms energy: -234.629751
where:
bonds (distance) C4'-P energy: -44.211
bonds (distance) P-C4' energy: -40.910
flat angles C4'-P-C4' energy: -48.103
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: -64.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -625.848318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.848318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.848318 (E_RNA)
where:
Base-Base interactions energy: -415.258
where: short stacking energy: -186.939
Base-Backbone interact. energy: -1.755
local terms energy: -208.835065
where:
bonds (distance) C4'-P energy: -43.786
bonds (distance) P-C4' energy: -38.996
flat angles C4'-P-C4' energy: -45.484
flat angles P-C4'-P energy: -31.772
tors. eta vs tors. theta energy: -48.796
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: 3, replica: 6
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -577.379695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.379695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.379695 (E_RNA)
where:
Base-Base interactions energy: -381.784
where: short stacking energy: -183.755
Base-Backbone interact. energy: -1.269
local terms energy: -194.326894
where:
bonds (distance) C4'-P energy: -42.674
bonds (distance) P-C4' energy: -31.909
flat angles C4'-P-C4' energy: -45.602
flat angles P-C4'-P energy: -25.162
tors. eta vs tors. theta energy: -48.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -533.718288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.718288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.718288 (E_RNA)
where:
Base-Base interactions energy: -337.114
where: short stacking energy: -167.948
Base-Backbone interact. energy: -0.449
local terms energy: -196.155827
where:
bonds (distance) C4'-P energy: -37.378
bonds (distance) P-C4' energy: -41.292
flat angles C4'-P-C4' energy: -46.913
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -48.524
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: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -498.167979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.167979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.167979 (E_RNA)
where:
Base-Base interactions energy: -323.397
where: short stacking energy: -144.962
Base-Backbone interact. energy: -0.909
local terms energy: -173.862064
where:
bonds (distance) C4'-P energy: -36.103
bonds (distance) P-C4' energy: -35.731
flat angles C4'-P-C4' energy: -38.386
flat angles P-C4'-P energy: -30.396
tors. eta vs tors. theta energy: -33.246
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: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -415.540744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.540744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.540744 (E_RNA)
where:
Base-Base interactions energy: -265.587
where: short stacking energy: -130.800
Base-Backbone interact. energy: -3.103
local terms energy: -146.851169
where:
bonds (distance) C4'-P energy: -38.891
bonds (distance) P-C4' energy: -35.754
flat angles C4'-P-C4' energy: -33.356
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -314.129840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.129840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.129840 (E_RNA)
where:
Base-Base interactions energy: -162.562
where: short stacking energy: -82.867
Base-Backbone interact. energy: -0.523
local terms energy: -151.044117
where:
bonds (distance) C4'-P energy: -41.017
bonds (distance) P-C4' energy: -40.404
flat angles C4'-P-C4' energy: -33.583
flat angles P-C4'-P energy: -24.208
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -302.055132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.055132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.055132 (E_RNA)
where:
Base-Base interactions energy: -153.435
where: short stacking energy: -90.763
Base-Backbone interact. energy: 3.149
local terms energy: -151.768896
where:
bonds (distance) C4'-P energy: -47.219
bonds (distance) P-C4' energy: -34.180
flat angles C4'-P-C4' energy: -29.728
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -188.070278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.070278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.070278 (E_RNA)
where:
Base-Base interactions energy: -80.798
where: short stacking energy: -72.437
Base-Backbone interact. energy: -0.653
local terms energy: -106.620083
where:
bonds (distance) C4'-P energy: -29.477
bonds (distance) P-C4' energy: -25.211
flat angles C4'-P-C4' energy: -25.755
flat angles P-C4'-P energy: -22.999
tors. eta vs tors. theta energy: -3.178
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: 2
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -180.818935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.818935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.818935 (E_RNA)
where:
Base-Base interactions energy: -58.579
where: short stacking energy: -52.129
Base-Backbone interact. energy: 1.723
local terms energy: -123.962257
where:
bonds (distance) C4'-P energy: -35.671
bonds (distance) P-C4' energy: -44.210
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: 1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -661.624162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.624162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.624162 (E_RNA)
where:
Base-Base interactions energy: -434.889
where: short stacking energy: -203.402
Base-Backbone interact. energy: -0.722
local terms energy: -226.012919
where:
bonds (distance) C4'-P energy: -40.945
bonds (distance) P-C4' energy: -45.619
flat angles C4'-P-C4' energy: -47.492
flat angles P-C4'-P energy: -29.293
tors. eta vs tors. theta energy: -62.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -600.793705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.793705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.793705 (E_RNA)
where:
Base-Base interactions energy: -394.811
where: short stacking energy: -190.851
Base-Backbone interact. energy: -0.473
local terms energy: -205.510644
where:
bonds (distance) C4'-P energy: -34.113
bonds (distance) P-C4' energy: -41.859
flat angles C4'-P-C4' energy: -46.723
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -55.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -583.793597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.793597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.793597 (E_RNA)
where:
Base-Base interactions energy: -368.584
where: short stacking energy: -174.732
Base-Backbone interact. energy: -3.508
local terms energy: -211.701849
where:
bonds (distance) C4'-P energy: -40.579
bonds (distance) P-C4' energy: -46.207
flat angles C4'-P-C4' energy: -47.960
flat angles P-C4'-P energy: -25.230
tors. eta vs tors. theta energy: -51.726
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: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -540.812890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.812890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.812890 (E_RNA)
where:
Base-Base interactions energy: -334.312
where: short stacking energy: -166.600
Base-Backbone interact. energy: -0.155
local terms energy: -206.345713
where:
bonds (distance) C4'-P energy: -32.671
bonds (distance) P-C4' energy: -47.016
flat angles C4'-P-C4' energy: -42.206
flat angles P-C4'-P energy: -37.102
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: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -493.135364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.135364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.135364 (E_RNA)
where:
Base-Base interactions energy: -322.721
where: short stacking energy: -140.990
Base-Backbone interact. energy: -0.411
local terms energy: -170.003219
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -32.736
flat angles C4'-P-C4' energy: -40.805
flat angles P-C4'-P energy: -30.682
tors. eta vs tors. theta energy: -32.720
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: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -407.380057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.380057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.380057 (E_RNA)
where:
Base-Base interactions energy: -232.910
where: short stacking energy: -112.857
Base-Backbone interact. energy: -0.518
local terms energy: -173.952139
where:
bonds (distance) C4'-P energy: -39.035
bonds (distance) P-C4' energy: -44.850
flat angles C4'-P-C4' energy: -37.061
flat angles P-C4'-P energy: -27.566
tors. eta vs tors. theta energy: -25.440
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: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -316.598373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.598373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.598373 (E_RNA)
where:
Base-Base interactions energy: -159.410
where: short stacking energy: -89.521
Base-Backbone interact. energy: 1.088
local terms energy: -158.275783
where:
bonds (distance) C4'-P energy: -40.794
bonds (distance) P-C4' energy: -37.892
flat angles C4'-P-C4' energy: -31.957
flat angles P-C4'-P energy: -29.868
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -255.493617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.493617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.493617 (E_RNA)
where:
Base-Base interactions energy: -117.643
where: short stacking energy: -77.010
Base-Backbone interact. energy: 1.383
local terms energy: -139.233963
where:
bonds (distance) C4'-P energy: -36.470
bonds (distance) P-C4' energy: -39.960
flat angles C4'-P-C4' energy: -40.181
flat angles P-C4'-P energy: -15.874
tors. eta vs tors. theta energy: -6.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -178.137328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.137328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.137328 (E_RNA)
where:
Base-Base interactions energy: -60.718
where: short stacking energy: -53.857
Base-Backbone interact. energy: -1.273
local terms energy: -116.146863
where:
bonds (distance) C4'-P energy: -29.228
bonds (distance) P-C4' energy: -37.572
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: 6.754
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: 10, replica: 2
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -182.242527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.242527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.242527 (E_RNA)
where:
Base-Base interactions energy: -65.582
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.146
local terms energy: -116.514863
where:
bonds (distance) C4'-P energy: -24.311
bonds (distance) P-C4' energy: -34.758
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -665.526530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.526530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.526530 (E_RNA)
where:
Base-Base interactions energy: -436.020
where: short stacking energy: -201.026
Base-Backbone interact. energy: -1.500
local terms energy: -228.006706
where:
bonds (distance) C4'-P energy: -46.692
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -42.518
flat angles P-C4'-P energy: -35.262
tors. eta vs tors. theta energy: -64.177
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: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -602.553900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.553900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.553900 (E_RNA)
where:
Base-Base interactions energy: -394.184
where: short stacking energy: -167.791
Base-Backbone interact. energy: -0.835
local terms energy: -207.535153
where:
bonds (distance) C4'-P energy: -45.537
bonds (distance) P-C4' energy: -50.959
flat angles C4'-P-C4' energy: -38.974
flat angles P-C4'-P energy: -21.800
tors. eta vs tors. theta energy: -50.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -595.940768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.940768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.940768 (E_RNA)
where:
Base-Base interactions energy: -391.041
where: short stacking energy: -169.116
Base-Backbone interact. energy: -0.604
local terms energy: -204.296290
where:
bonds (distance) C4'-P energy: -39.009
bonds (distance) P-C4' energy: -41.972
flat angles C4'-P-C4' energy: -45.607
flat angles P-C4'-P energy: -28.261
tors. eta vs tors. theta energy: -49.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -562.943670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.943670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.943670 (E_RNA)
where:
Base-Base interactions energy: -363.046
where: short stacking energy: -182.092
Base-Backbone interact. energy: 1.387
local terms energy: -201.285020
where:
bonds (distance) C4'-P energy: -46.075
bonds (distance) P-C4' energy: -39.601
flat angles C4'-P-C4' energy: -43.037
flat angles P-C4'-P energy: -27.413
tors. eta vs tors. theta energy: -45.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -535.162119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.162119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.162119 (E_RNA)
where:
Base-Base interactions energy: -332.749
where: short stacking energy: -139.733
Base-Backbone interact. energy: -0.457
local terms energy: -201.956237
where:
bonds (distance) C4'-P energy: -45.175
bonds (distance) P-C4' energy: -43.525
flat angles C4'-P-C4' energy: -48.423
flat angles P-C4'-P energy: -29.237
tors. eta vs tors. theta energy: -35.597
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: 7
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -409.811784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.811784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.811784 (E_RNA)
where:
Base-Base interactions energy: -249.012
where: short stacking energy: -118.835
Base-Backbone interact. energy: 0.101
local terms energy: -160.900749
where:
bonds (distance) C4'-P energy: -37.124
bonds (distance) P-C4' energy: -34.318
flat angles C4'-P-C4' energy: -40.071
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -27.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -278.908797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.908797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.908797 (E_RNA)
where:
Base-Base interactions energy: -145.696
where: short stacking energy: -107.177
Base-Backbone interact. energy: 1.826
local terms energy: -135.038109
where:
bonds (distance) C4'-P energy: -29.552
bonds (distance) P-C4' energy: -39.945
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -17.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -270.344054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.344054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.344054 (E_RNA)
where:
Base-Base interactions energy: -131.043
where: short stacking energy: -71.474
Base-Backbone interact. energy: 0.960
local terms energy: -140.260724
where:
bonds (distance) C4'-P energy: -40.288
bonds (distance) P-C4' energy: -32.599
flat angles C4'-P-C4' energy: -32.841
flat angles P-C4'-P energy: -24.897
tors. eta vs tors. theta energy: -9.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -198.414383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.414383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.414383 (E_RNA)
where:
Base-Base interactions energy: -66.037
where: short stacking energy: -49.728
Base-Backbone interact. energy: -0.385
local terms energy: -131.992439
where:
bonds (distance) C4'-P energy: -45.268
bonds (distance) P-C4' energy: -33.955
flat angles C4'-P-C4' energy: -26.932
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -176.804310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.804310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.804310 (E_RNA)
where:
Base-Base interactions energy: -58.403
where: short stacking energy: -50.916
Base-Backbone interact. energy: -1.511
local terms energy: -116.889807
where:
bonds (distance) C4'-P energy: -36.304
bonds (distance) P-C4' energy: -36.220
flat angles C4'-P-C4' energy: -32.076
flat angles P-C4'-P energy: -22.826
tors. eta vs tors. theta energy: 10.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -694.022021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.022021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.022021 (E_RNA)
where:
Base-Base interactions energy: -446.187
where: short stacking energy: -208.676
Base-Backbone interact. energy: -0.539
local terms energy: -247.295853
where:
bonds (distance) C4'-P energy: -40.941
bonds (distance) P-C4' energy: -48.698
flat angles C4'-P-C4' energy: -49.814
flat angles P-C4'-P energy: -36.345
tors. eta vs tors. theta energy: -71.499
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: 2, replica: 6
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -615.103572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.103572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.103572 (E_RNA)
where:
Base-Base interactions energy: -406.355
where: short stacking energy: -181.886
Base-Backbone interact. energy: 1.194
local terms energy: -209.942793
where:
bonds (distance) C4'-P energy: -37.929
bonds (distance) P-C4' energy: -42.328
flat angles C4'-P-C4' energy: -47.105
flat angles P-C4'-P energy: -32.150
tors. eta vs tors. theta energy: -50.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -602.638162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.638162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.638162 (E_RNA)
where:
Base-Base interactions energy: -399.980
where: short stacking energy: -188.505
Base-Backbone interact. energy: -0.661
local terms energy: -201.997413
where:
bonds (distance) C4'-P energy: -38.658
bonds (distance) P-C4' energy: -41.538
flat angles C4'-P-C4' energy: -43.659
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -56.094
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: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -512.560317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.560317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.560317 (E_RNA)
where:
Base-Base interactions energy: -329.239
where: short stacking energy: -150.259
Base-Backbone interact. energy: -0.741
local terms energy: -182.580990
where:
bonds (distance) C4'-P energy: -38.867
bonds (distance) P-C4' energy: -48.923
flat angles C4'-P-C4' energy: -37.092
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -39.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -563.008846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.008846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.008846 (E_RNA)
where:
Base-Base interactions energy: -369.132
where: short stacking energy: -167.801
Base-Backbone interact. energy: -0.447
local terms energy: -193.429333
where:
bonds (distance) C4'-P energy: -28.989
bonds (distance) P-C4' energy: -33.784
flat angles C4'-P-C4' energy: -48.074
flat angles P-C4'-P energy: -35.151
tors. eta vs tors. theta energy: -47.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -436.939063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.939063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.939063 (E_RNA)
where:
Base-Base interactions energy: -248.978
where: short stacking energy: -135.279
Base-Backbone interact. energy: -0.190
local terms energy: -187.770575
where:
bonds (distance) C4'-P energy: -39.711
bonds (distance) P-C4' energy: -46.232
flat angles C4'-P-C4' energy: -46.373
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -33.362
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: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -294.174385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.174385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.174385 (E_RNA)
where:
Base-Base interactions energy: -153.326
where: short stacking energy: -104.604
Base-Backbone interact. energy: 1.150
local terms energy: -141.998253
where:
bonds (distance) C4'-P energy: -33.127
bonds (distance) P-C4' energy: -44.383
flat angles C4'-P-C4' energy: -28.906
flat angles P-C4'-P energy: -18.288
tors. eta vs tors. theta energy: -17.294
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: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -206.803624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.803624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.803624 (E_RNA)
where:
Base-Base interactions energy: -78.319
where: short stacking energy: -58.882
Base-Backbone interact. energy: 1.020
local terms energy: -129.505140
where:
bonds (distance) C4'-P energy: -39.769
bonds (distance) P-C4' energy: -34.939
flat angles C4'-P-C4' energy: -29.852
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -1.550
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: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -193.973181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.973181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.973181 (E_RNA)
where:
Base-Base interactions energy: -74.534
where: short stacking energy: -53.512
Base-Backbone interact. energy: -0.161
local terms energy: -119.278593
where:
bonds (distance) C4'-P energy: -35.438
bonds (distance) P-C4' energy: -39.024
flat angles C4'-P-C4' energy: -28.609
flat angles P-C4'-P energy: -17.579
tors. eta vs tors. theta energy: 1.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -199.300941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.300941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.300941 (E_RNA)
where:
Base-Base interactions energy: -68.738
where: short stacking energy: -43.989
Base-Backbone interact. energy: -1.448
local terms energy: -129.115024
where:
bonds (distance) C4'-P energy: -32.068
bonds (distance) P-C4' energy: -42.304
flat angles C4'-P-C4' energy: -34.764
flat angles P-C4'-P energy: -23.391
tors. eta vs tors. theta energy: 3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -661.704474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.704474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.704474 (E_RNA)
where:
Base-Base interactions energy: -430.143
where: short stacking energy: -200.068
Base-Backbone interact. energy: -0.234
local terms energy: -231.326820
where:
bonds (distance) C4'-P energy: -45.620
bonds (distance) P-C4' energy: -43.533
flat angles C4'-P-C4' energy: -48.862
flat angles P-C4'-P energy: -32.018
tors. eta vs tors. theta energy: -61.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -617.566956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.566956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.566956 (E_RNA)
where:
Base-Base interactions energy: -415.876
where: short stacking energy: -182.411
Base-Backbone interact. energy: -0.300
local terms energy: -201.390963
where:
bonds (distance) C4'-P energy: -42.252
bonds (distance) P-C4' energy: -35.282
flat angles C4'-P-C4' energy: -50.581
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -53.407
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: 8
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -573.778835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.778835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.778835 (E_RNA)
where:
Base-Base interactions energy: -369.215
where: short stacking energy: -157.216
Base-Backbone interact. energy: -1.376
local terms energy: -203.187829
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -42.984
flat angles C4'-P-C4' energy: -48.941
flat angles P-C4'-P energy: -26.294
tors. eta vs tors. theta energy: -46.221
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: 136
Temperature: 1.050000
Total energy: -523.127797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.127797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.127797 (E_RNA)
where:
Base-Base interactions energy: -323.168
where: short stacking energy: -154.402
Base-Backbone interact. energy: 0.113
local terms energy: -200.073317
where:
bonds (distance) C4'-P energy: -40.429
bonds (distance) P-C4' energy: -45.569
flat angles C4'-P-C4' energy: -45.524
flat angles P-C4'-P energy: -33.003
tors. eta vs tors. theta energy: -35.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -503.733622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.733622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.733622 (E_RNA)
where:
Base-Base interactions energy: -322.134
where: short stacking energy: -127.812
Base-Backbone interact. energy: -1.070
local terms energy: -180.529489
where:
bonds (distance) C4'-P energy: -38.383
bonds (distance) P-C4' energy: -40.843
flat angles C4'-P-C4' energy: -40.963
flat angles P-C4'-P energy: -29.543
tors. eta vs tors. theta energy: -30.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -437.317709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.317709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.317709 (E_RNA)
where:
Base-Base interactions energy: -278.428
where: short stacking energy: -131.532
Base-Backbone interact. energy: -0.041
local terms energy: -158.848553
where:
bonds (distance) C4'-P energy: -35.992
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -36.077
flat angles P-C4'-P energy: -26.475
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: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -279.037743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.037743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.037743 (E_RNA)
where:
Base-Base interactions energy: -155.910
where: short stacking energy: -87.482
Base-Backbone interact. energy: -1.024
local terms energy: -122.102969
where:
bonds (distance) C4'-P energy: -36.463
bonds (distance) P-C4' energy: -36.122
flat angles C4'-P-C4' energy: -32.170
flat angles P-C4'-P energy: -18.142
tors. eta vs tors. theta energy: 0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -214.838620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.838620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.838620 (E_RNA)
where:
Base-Base interactions energy: -74.483
where: short stacking energy: -68.928
Base-Backbone interact. energy: -0.143
local terms energy: -140.212836
where:
bonds (distance) C4'-P energy: -34.463
bonds (distance) P-C4' energy: -37.599
flat angles C4'-P-C4' energy: -35.369
flat angles P-C4'-P energy: -23.041
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -212.689771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.689771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.689771 (E_RNA)
where:
Base-Base interactions energy: -99.078
where: short stacking energy: -63.669
Base-Backbone interact. energy: 1.000
local terms energy: -114.611087
where:
bonds (distance) C4'-P energy: -32.332
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -23.719
flat angles P-C4'-P energy: -19.202
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -185.407801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.407801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.407801 (E_RNA)
where:
Base-Base interactions energy: -65.532
where: short stacking energy: -52.022
Base-Backbone interact. energy: -0.693
local terms energy: -119.182817
where:
bonds (distance) C4'-P energy: -38.347
bonds (distance) P-C4' energy: -31.865
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -25.844
tors. eta vs tors. theta energy: 5.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -676.866696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.866696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.866696 (E_RNA)
where:
Base-Base interactions energy: -436.908
where: short stacking energy: -213.297
Base-Backbone interact. energy: -0.336
local terms energy: -239.622375
where:
bonds (distance) C4'-P energy: -50.192
bonds (distance) P-C4' energy: -42.970
flat angles C4'-P-C4' energy: -46.988
flat angles P-C4'-P energy: -33.330
tors. eta vs tors. theta energy: -66.143
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: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -591.477859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.477859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.477859 (E_RNA)
where:
Base-Base interactions energy: -392.076
where: short stacking energy: -183.628
Base-Backbone interact. energy: -0.029
local terms energy: -199.373170
where:
bonds (distance) C4'-P energy: -37.071
bonds (distance) P-C4' energy: -45.507
flat angles C4'-P-C4' energy: -34.532
flat angles P-C4'-P energy: -29.794
tors. eta vs tors. theta energy: -52.468
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: 137
Temperature: 1.000000
Total energy: -588.370891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.370891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.370891 (E_RNA)
where:
Base-Base interactions energy: -373.818
where: short stacking energy: -176.750
Base-Backbone interact. energy: -0.272
local terms energy: -214.281190
where:
bonds (distance) C4'-P energy: -45.626
bonds (distance) P-C4' energy: -38.074
flat angles C4'-P-C4' energy: -49.439
flat angles P-C4'-P energy: -28.100
tors. eta vs tors. theta energy: -53.043
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: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -534.149039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.149039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.149039 (E_RNA)
where:
Base-Base interactions energy: -335.575
where: short stacking energy: -151.013
Base-Backbone interact. energy: -0.683
local terms energy: -197.891202
where:
bonds (distance) C4'-P energy: -35.762
bonds (distance) P-C4' energy: -48.429
flat angles C4'-P-C4' energy: -45.013
flat angles P-C4'-P energy: -26.669
tors. eta vs tors. theta energy: -42.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -475.668118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.668118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.668118 (E_RNA)
where:
Base-Base interactions energy: -299.592
where: short stacking energy: -145.600
Base-Backbone interact. energy: -0.818
local terms energy: -175.257970
where:
bonds (distance) C4'-P energy: -40.275
bonds (distance) P-C4' energy: -41.269
flat angles C4'-P-C4' energy: -39.141
flat angles P-C4'-P energy: -25.037
tors. eta vs tors. theta energy: -29.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -447.692505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.692505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.692505 (E_RNA)
where:
Base-Base interactions energy: -269.984
where: short stacking energy: -121.257
Base-Backbone interact. energy: -0.327
local terms energy: -177.382322
where:
bonds (distance) C4'-P energy: -49.007
bonds (distance) P-C4' energy: -37.926
flat angles C4'-P-C4' energy: -37.168
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -30.579
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: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -281.582438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.582438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.582438 (E_RNA)
where:
Base-Base interactions energy: -115.690
where: short stacking energy: -78.019
Base-Backbone interact. energy: 1.853
local terms energy: -167.745443
where:
bonds (distance) C4'-P energy: -49.528
bonds (distance) P-C4' energy: -41.039
flat angles C4'-P-C4' energy: -40.457
flat angles P-C4'-P energy: -25.833
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: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -199.749882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.749882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.749882 (E_RNA)
where:
Base-Base interactions energy: -85.147
where: short stacking energy: -65.394
Base-Backbone interact. energy: -0.427
local terms energy: -114.175909
where:
bonds (distance) C4'-P energy: -29.117
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -20.511
tors. eta vs tors. theta energy: 0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -195.624690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.624690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.624690 (E_RNA)
where:
Base-Base interactions energy: -83.994
where: short stacking energy: -70.722
Base-Backbone interact. energy: 0.919
local terms energy: -112.550350
where:
bonds (distance) C4'-P energy: -31.848
bonds (distance) P-C4' energy: -40.663
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -179.212009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.212009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.212009 (E_RNA)
where:
Base-Base interactions energy: -60.090
where: short stacking energy: -56.337
Base-Backbone interact. energy: 3.505
local terms energy: -122.627435
where:
bonds (distance) C4'-P energy: -34.332
bonds (distance) P-C4' energy: -45.506
flat angles C4'-P-C4' energy: -29.065
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: 2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -672.753109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.753109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.753109 (E_RNA)
where:
Base-Base interactions energy: -433.802
where: short stacking energy: -205.890
Base-Backbone interact. energy: -0.020
local terms energy: -238.930824
where:
bonds (distance) C4'-P energy: -50.013
bonds (distance) P-C4' energy: -43.182
flat angles C4'-P-C4' energy: -45.068
flat angles P-C4'-P energy: -38.898
tors. eta vs tors. theta energy: -61.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -590.542932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.542932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.542932 (E_RNA)
where:
Base-Base interactions energy: -385.715
where: short stacking energy: -179.664
Base-Backbone interact. energy: 1.460
local terms energy: -206.287622
where:
bonds (distance) C4'-P energy: -45.309
bonds (distance) P-C4' energy: -46.475
flat angles C4'-P-C4' energy: -41.426
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: -42.643
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: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -578.196665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.196665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.196665 (E_RNA)
where:
Base-Base interactions energy: -377.124
where: short stacking energy: -176.990
Base-Backbone interact. energy: 0.597
local terms energy: -201.669946
where:
bonds (distance) C4'-P energy: -39.634
bonds (distance) P-C4' energy: -42.727
flat angles C4'-P-C4' energy: -39.548
flat angles P-C4'-P energy: -30.385
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: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -545.392059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.392059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.392059 (E_RNA)
where:
Base-Base interactions energy: -353.687
where: short stacking energy: -157.815
Base-Backbone interact. energy: -1.318
local terms energy: -190.386705
where:
bonds (distance) C4'-P energy: -31.262
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -46.072
flat angles P-C4'-P energy: -33.437
tors. eta vs tors. theta energy: -41.042
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: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -488.169193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.169193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.169193 (E_RNA)
where:
Base-Base interactions energy: -300.311
where: short stacking energy: -158.392
Base-Backbone interact. energy: -0.780
local terms energy: -187.078289
where:
bonds (distance) C4'-P energy: -44.064
bonds (distance) P-C4' energy: -39.778
flat angles C4'-P-C4' energy: -39.833
flat angles P-C4'-P energy: -31.767
tors. eta vs tors. theta energy: -31.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -466.029669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.029669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.029669 (E_RNA)
where:
Base-Base interactions energy: -289.599
where: short stacking energy: -131.312
Base-Backbone interact. energy: 0.628
local terms energy: -177.058948
where:
bonds (distance) C4'-P energy: -38.717
bonds (distance) P-C4' energy: -43.641
flat angles C4'-P-C4' energy: -42.714
flat angles P-C4'-P energy: -18.678
tors. eta vs tors. theta energy: -33.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -218.419096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.419096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.419096 (E_RNA)
where:
Base-Base interactions energy: -89.384
where: short stacking energy: -67.600
Base-Backbone interact. energy: -1.116
local terms energy: -127.919437
where:
bonds (distance) C4'-P energy: -27.924
bonds (distance) P-C4' energy: -45.230
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -20.646
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: 8, replica: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -263.136986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.136986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.136986 (E_RNA)
where:
Base-Base interactions energy: -117.538
where: short stacking energy: -75.310
Base-Backbone interact. energy: -1.212
local terms energy: -144.387009
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -35.815
flat angles C4'-P-C4' energy: -35.025
flat angles P-C4'-P energy: -30.472
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -199.296681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.296681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.296681 (E_RNA)
where:
Base-Base interactions energy: -74.000
where: short stacking energy: -62.447
Base-Backbone interact. energy: -1.680
local terms energy: -123.616475
where:
bonds (distance) C4'-P energy: -30.075
bonds (distance) P-C4' energy: -39.810
flat angles C4'-P-C4' energy: -38.241
flat angles P-C4'-P energy: -15.642
tors. eta vs tors. theta energy: 0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -168.140677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.140677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.140677 (E_RNA)
where:
Base-Base interactions energy: -53.882
where: short stacking energy: -41.045
Base-Backbone interact. energy: -0.132
local terms energy: -114.127149
where:
bonds (distance) C4'-P energy: -33.951
bonds (distance) P-C4' energy: -46.088
flat angles C4'-P-C4' energy: -37.629
flat angles P-C4'-P energy: -5.112
tors. eta vs tors. theta energy: 8.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -656.586268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.586268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.586268 (E_RNA)
where:
Base-Base interactions energy: -437.242
where: short stacking energy: -201.917
Base-Backbone interact. energy: -0.170
local terms energy: -219.174323
where:
bonds (distance) C4'-P energy: -37.788
bonds (distance) P-C4' energy: -42.271
flat angles C4'-P-C4' energy: -47.801
flat angles P-C4'-P energy: -32.170
tors. eta vs tors. theta energy: -59.145
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: 2, replica: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -604.944428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.944428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.944428 (E_RNA)
where:
Base-Base interactions energy: -409.218
where: short stacking energy: -180.579
Base-Backbone interact. energy: -1.152
local terms energy: -194.574955
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -44.961
flat angles C4'-P-C4' energy: -42.342
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -49.229
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: 3, replica: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -598.303950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.303950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.303950 (E_RNA)
where:
Base-Base interactions energy: -383.494
where: short stacking energy: -170.199
Base-Backbone interact. energy: -0.600
local terms energy: -214.210449
where:
bonds (distance) C4'-P energy: -43.970
bonds (distance) P-C4' energy: -48.908
flat angles C4'-P-C4' energy: -49.520
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -45.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -562.034006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.034006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.034006 (E_RNA)
where:
Base-Base interactions energy: -361.328
where: short stacking energy: -175.501
Base-Backbone interact. energy: 2.158
local terms energy: -202.863570
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -36.842
flat angles C4'-P-C4' energy: -45.723
flat angles P-C4'-P energy: -24.851
tors. eta vs tors. theta energy: -55.856
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: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -496.978437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.978437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.978437 (E_RNA)
where:
Base-Base interactions energy: -302.896
where: short stacking energy: -152.844
Base-Backbone interact. energy: 0.309
local terms energy: -194.392287
where:
bonds (distance) C4'-P energy: -42.535
bonds (distance) P-C4' energy: -41.364
flat angles C4'-P-C4' energy: -43.147
flat angles P-C4'-P energy: -25.668
tors. eta vs tors. theta energy: -41.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -456.683900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.683900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.683900 (E_RNA)
where:
Base-Base interactions energy: -282.305
where: short stacking energy: -134.496
Base-Backbone interact. energy: -0.263
local terms energy: -174.115224
where:
bonds (distance) C4'-P energy: -46.417
bonds (distance) P-C4' energy: -31.846
flat angles C4'-P-C4' energy: -34.524
flat angles P-C4'-P energy: -25.912
tors. eta vs tors. theta energy: -35.416
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: 1
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -227.962199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.962199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.962199 (E_RNA)
where:
Base-Base interactions energy: -90.309
where: short stacking energy: -88.337
Base-Backbone interact. energy: 0.491
local terms energy: -138.143886
where:
bonds (distance) C4'-P energy: -30.705
bonds (distance) P-C4' energy: -41.314
flat angles C4'-P-C4' energy: -34.695
flat angles P-C4'-P energy: -24.394
tors. eta vs tors. theta energy: -7.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -199.360759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.360759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.360759 (E_RNA)
where:
Base-Base interactions energy: -69.578
where: short stacking energy: -55.014
Base-Backbone interact. energy: 1.542
local terms energy: -131.324960
where:
bonds (distance) C4'-P energy: -40.585
bonds (distance) P-C4' energy: -36.381
flat angles C4'-P-C4' energy: -30.448
flat angles P-C4'-P energy: -23.449
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: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -279.343703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.343703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.343703 (E_RNA)
where:
Base-Base interactions energy: -128.872
where: short stacking energy: -80.083
Base-Backbone interact. energy: -1.128
local terms energy: -149.343736
where:
bonds (distance) C4'-P energy: -32.876
bonds (distance) P-C4' energy: -47.220
flat angles C4'-P-C4' energy: -40.122
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -14.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -181.457513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.457513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.457513 (E_RNA)
where:
Base-Base interactions energy: -56.161
where: short stacking energy: -50.238
Base-Backbone interact. energy: -0.918
local terms energy: -124.378357
where:
bonds (distance) C4'-P energy: -37.094
bonds (distance) P-C4' energy: -29.834
flat angles C4'-P-C4' energy: -33.639
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -656.649650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.649650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.649650 (E_RNA)
where:
Base-Base interactions energy: -419.198
where: short stacking energy: -202.795
Base-Backbone interact. energy: -0.651
local terms energy: -236.800271
where:
bonds (distance) C4'-P energy: -46.137
bonds (distance) P-C4' energy: -47.882
flat angles C4'-P-C4' energy: -46.810
flat angles P-C4'-P energy: -33.011
tors. eta vs tors. theta energy: -62.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -594.778720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.778720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.778720 (E_RNA)
where:
Base-Base interactions energy: -392.324
where: short stacking energy: -178.516
Base-Backbone interact. energy: 0.627
local terms energy: -203.081010
where:
bonds (distance) C4'-P energy: -39.325
bonds (distance) P-C4' energy: -47.673
flat angles C4'-P-C4' energy: -43.998
flat angles P-C4'-P energy: -31.952
tors. eta vs tors. theta energy: -40.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -575.685735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.685735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.685735 (E_RNA)
where:
Base-Base interactions energy: -366.970
where: short stacking energy: -155.598
Base-Backbone interact. energy: -0.453
local terms energy: -208.263363
where:
bonds (distance) C4'-P energy: -37.474
bonds (distance) P-C4' energy: -46.161
flat angles C4'-P-C4' energy: -43.737
flat angles P-C4'-P energy: -35.313
tors. eta vs tors. theta energy: -45.578
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: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -577.381936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.381936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.381936 (E_RNA)
where:
Base-Base interactions energy: -375.016
where: short stacking energy: -162.556
Base-Backbone interact. energy: -0.115
local terms energy: -202.251065
where:
bonds (distance) C4'-P energy: -42.554
bonds (distance) P-C4' energy: -43.240
flat angles C4'-P-C4' energy: -40.986
flat angles P-C4'-P energy: -29.232
tors. eta vs tors. theta energy: -46.239
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: 7
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -472.840203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.840203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.840203 (E_RNA)
where:
Base-Base interactions energy: -285.701
where: short stacking energy: -138.414
Base-Backbone interact. energy: 1.519
local terms energy: -188.657761
where:
bonds (distance) C4'-P energy: -45.129
bonds (distance) P-C4' energy: -33.747
flat angles C4'-P-C4' energy: -44.341
flat angles P-C4'-P energy: -23.930
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: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -460.263805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.263805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.263805 (E_RNA)
where:
Base-Base interactions energy: -271.341
where: short stacking energy: -133.053
Base-Backbone interact. energy: 0.117
local terms energy: -189.039461
where:
bonds (distance) C4'-P energy: -36.149
bonds (distance) P-C4' energy: -51.281
flat angles C4'-P-C4' energy: -40.636
flat angles P-C4'-P energy: -32.296
tors. eta vs tors. theta energy: -28.677
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: 7, replica: 9
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -221.367478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.367478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.367478 (E_RNA)
where:
Base-Base interactions energy: -70.612
where: short stacking energy: -65.280
Base-Backbone interact. energy: 0.132
local terms energy: -150.887320
where:
bonds (distance) C4'-P energy: -41.665
bonds (distance) P-C4' energy: -34.924
flat angles C4'-P-C4' energy: -43.675
flat angles P-C4'-P energy: -23.231
tors. eta vs tors. theta energy: -7.394
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: 1
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -212.110678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.110678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.110678 (E_RNA)
where:
Base-Base interactions energy: -77.446
where: short stacking energy: -77.472
Base-Backbone interact. energy: 0.886
local terms energy: -135.551195
where:
bonds (distance) C4'-P energy: -28.708
bonds (distance) P-C4' energy: -38.026
flat angles C4'-P-C4' energy: -39.828
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -11.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -249.893581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.893581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.893581 (E_RNA)
where:
Base-Base interactions energy: -104.528
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.539
local terms energy: -144.826438
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -36.985
flat angles C4'-P-C4' energy: -34.939
flat angles P-C4'-P energy: -25.327
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -184.071531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.071531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.071531 (E_RNA)
where:
Base-Base interactions energy: -65.583
where: short stacking energy: -55.368
Base-Backbone interact. energy: -0.946
local terms energy: -117.542503
where:
bonds (distance) C4'-P energy: -33.158
bonds (distance) P-C4' energy: -39.781
flat angles C4'-P-C4' energy: -25.741
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -2.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -667.168949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.168949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.168949 (E_RNA)
where:
Base-Base interactions energy: -433.730
where: short stacking energy: -200.587
Base-Backbone interact. energy: -0.180
local terms energy: -233.259024
where:
bonds (distance) C4'-P energy: -41.538
bonds (distance) P-C4' energy: -45.251
flat angles C4'-P-C4' energy: -47.234
flat angles P-C4'-P energy: -35.957
tors. eta vs tors. theta energy: -63.278
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: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -601.083912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.083912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.083912 (E_RNA)
where:
Base-Base interactions energy: -381.323
where: short stacking energy: -189.954
Base-Backbone interact. energy: -0.395
local terms energy: -219.366198
where:
bonds (distance) C4'-P energy: -48.002
bonds (distance) P-C4' energy: -46.200
flat angles C4'-P-C4' energy: -43.693
flat angles P-C4'-P energy: -29.907
tors. eta vs tors. theta energy: -51.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -588.910446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.910446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.910446 (E_RNA)
where:
Base-Base interactions energy: -387.541
where: short stacking energy: -164.736
Base-Backbone interact. energy: 3.054
local terms energy: -204.423140
where:
bonds (distance) C4'-P energy: -40.915
bonds (distance) P-C4' energy: -42.438
flat angles C4'-P-C4' energy: -45.435
flat angles P-C4'-P energy: -29.812
tors. eta vs tors. theta energy: -45.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -562.732873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.732873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.732873 (E_RNA)
where:
Base-Base interactions energy: -356.902
where: short stacking energy: -157.348
Base-Backbone interact. energy: -0.909
local terms energy: -204.922231
where:
bonds (distance) C4'-P energy: -40.824
bonds (distance) P-C4' energy: -43.272
flat angles C4'-P-C4' energy: -41.530
flat angles P-C4'-P energy: -35.170
tors. eta vs tors. theta energy: -44.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -493.569526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.569526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.569526 (E_RNA)
where:
Base-Base interactions energy: -292.412
where: short stacking energy: -143.099
Base-Backbone interact. energy: -0.677
local terms energy: -200.480037
where:
bonds (distance) C4'-P energy: -40.819
bonds (distance) P-C4' energy: -42.432
flat angles C4'-P-C4' energy: -40.352
flat angles P-C4'-P energy: -32.151
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: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -425.324790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.324790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.324790 (E_RNA)
where:
Base-Base interactions energy: -253.270
where: short stacking energy: -121.235
Base-Backbone interact. energy: 0.670
local terms energy: -172.724849
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -32.384
flat angles C4'-P-C4' energy: -41.310
flat angles P-C4'-P energy: -30.413
tors. eta vs tors. theta energy: -29.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -269.798665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.798665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.798665 (E_RNA)
where:
Base-Base interactions energy: -119.355
where: short stacking energy: -87.070
Base-Backbone interact. energy: -3.526
local terms energy: -146.917736
where:
bonds (distance) C4'-P energy: -45.426
bonds (distance) P-C4' energy: -40.195
flat angles C4'-P-C4' energy: -32.802
flat angles P-C4'-P energy: -22.974
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -261.262245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.262245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.262245 (E_RNA)
where:
Base-Base interactions energy: -127.507
where: short stacking energy: -78.168
Base-Backbone interact. energy: 1.448
local terms energy: -135.203594
where:
bonds (distance) C4'-P energy: -33.792
bonds (distance) P-C4' energy: -37.802
flat angles C4'-P-C4' energy: -33.648
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -14.792
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: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -179.008087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.008087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.008087 (E_RNA)
where:
Base-Base interactions energy: -67.398
where: short stacking energy: -53.655
Base-Backbone interact. energy: -1.523
local terms energy: -110.087116
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -35.515
flat angles C4'-P-C4' energy: -36.957
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: 6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -199.772073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.772073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.772073 (E_RNA)
where:
Base-Base interactions energy: -74.191
where: short stacking energy: -66.519
Base-Backbone interact. energy: 2.598
local terms energy: -128.179660
where:
bonds (distance) C4'-P energy: -37.044
bonds (distance) P-C4' energy: -37.185
flat angles C4'-P-C4' energy: -30.612
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -5.336
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: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -650.344988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.344988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.344988 (E_RNA)
where:
Base-Base interactions energy: -420.227
where: short stacking energy: -206.488
Base-Backbone interact. energy: -1.089
local terms energy: -229.028809
where:
bonds (distance) C4'-P energy: -45.468
bonds (distance) P-C4' energy: -43.505
flat angles C4'-P-C4' energy: -45.226
flat angles P-C4'-P energy: -34.409
tors. eta vs tors. theta energy: -60.421
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: 142
Temperature: 0.950000
Total energy: -595.617386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.617386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.617386 (E_RNA)
where:
Base-Base interactions energy: -388.791
where: short stacking energy: -165.053
Base-Backbone interact. energy: -0.281
local terms energy: -206.545920
where:
bonds (distance) C4'-P energy: -44.265
bonds (distance) P-C4' energy: -36.910
flat angles C4'-P-C4' energy: -44.593
flat angles P-C4'-P energy: -28.114
tors. eta vs tors. theta energy: -52.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -561.482318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.482318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.482318 (E_RNA)
where:
Base-Base interactions energy: -364.070
where: short stacking energy: -174.758
Base-Backbone interact. energy: -0.472
local terms energy: -196.940366
where:
bonds (distance) C4'-P energy: -41.223
bonds (distance) P-C4' energy: -47.329
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -32.211
tors. eta vs tors. theta energy: -45.774
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: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -522.990000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.990000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.990000 (E_RNA)
where:
Base-Base interactions energy: -338.679
where: short stacking energy: -151.007
Base-Backbone interact. energy: 0.784
local terms energy: -185.094946
where:
bonds (distance) C4'-P energy: -35.815
bonds (distance) P-C4' energy: -39.613
flat angles C4'-P-C4' energy: -45.873
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -37.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -472.129957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.129957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.129957 (E_RNA)
where:
Base-Base interactions energy: -280.999
where: short stacking energy: -132.743
Base-Backbone interact. energy: -0.088
local terms energy: -191.043151
where:
bonds (distance) C4'-P energy: -39.730
bonds (distance) P-C4' energy: -43.726
flat angles C4'-P-C4' energy: -41.191
flat angles P-C4'-P energy: -32.262
tors. eta vs tors. theta energy: -34.135
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: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -466.404279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.404279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.404279 (E_RNA)
where:
Base-Base interactions energy: -294.316
where: short stacking energy: -127.371
Base-Backbone interact. energy: -0.925
local terms energy: -171.162856
where:
bonds (distance) C4'-P energy: -29.647
bonds (distance) P-C4' energy: -31.809
flat angles C4'-P-C4' energy: -42.150
flat angles P-C4'-P energy: -28.298
tors. eta vs tors. theta energy: -39.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -311.747660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.747660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.747660 (E_RNA)
where:
Base-Base interactions energy: -149.380
where: short stacking energy: -77.559
Base-Backbone interact. energy: 2.149
local terms energy: -164.516164
where:
bonds (distance) C4'-P energy: -41.861
bonds (distance) P-C4' energy: -43.032
flat angles C4'-P-C4' energy: -40.776
flat angles P-C4'-P energy: -25.101
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -234.116213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.116213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.116213 (E_RNA)
where:
Base-Base interactions energy: -96.561
where: short stacking energy: -66.498
Base-Backbone interact. energy: 3.006
local terms energy: -140.561623
where:
bonds (distance) C4'-P energy: -38.558
bonds (distance) P-C4' energy: -38.332
flat angles C4'-P-C4' energy: -36.481
flat angles P-C4'-P energy: -23.885
tors. eta vs tors. theta energy: -3.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -196.545288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.545288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.545288 (E_RNA)
where:
Base-Base interactions energy: -78.831
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.639
local terms energy: -117.075721
where:
bonds (distance) C4'-P energy: -30.027
bonds (distance) P-C4' energy: -43.734
flat angles C4'-P-C4' energy: -23.379
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -0.929
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: 2
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -187.856910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.856910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.856910 (E_RNA)
where:
Base-Base interactions energy: -58.884
where: short stacking energy: -56.025
Base-Backbone interact. energy: -0.899
local terms energy: -128.073849
where:
bonds (distance) C4'-P energy: -37.058
bonds (distance) P-C4' energy: -36.761
flat angles C4'-P-C4' energy: -41.599
flat angles P-C4'-P energy: -23.130
tors. eta vs tors. theta energy: 10.474
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: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -658.834968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.834968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.834968 (E_RNA)
where:
Base-Base interactions energy: -443.580
where: short stacking energy: -215.852
Base-Backbone interact. energy: -0.514
local terms energy: -214.741293
where:
bonds (distance) C4'-P energy: -34.510
bonds (distance) P-C4' energy: -39.985
flat angles C4'-P-C4' energy: -50.352
flat angles P-C4'-P energy: -31.633
tors. eta vs tors. theta energy: -58.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -584.211141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.211141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.211141 (E_RNA)
where:
Base-Base interactions energy: -386.977
where: short stacking energy: -166.150
Base-Backbone interact. energy: -0.506
local terms energy: -196.727817
where:
bonds (distance) C4'-P energy: -44.422
bonds (distance) P-C4' energy: -41.147
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -29.836
tors. eta vs tors. theta energy: -45.921
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: 143
Temperature: 1.000000
Total energy: -574.812595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.812595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.812595 (E_RNA)
where:
Base-Base interactions energy: -367.314
where: short stacking energy: -162.492
Base-Backbone interact. energy: -2.579
local terms energy: -204.919777
where:
bonds (distance) C4'-P energy: -38.123
bonds (distance) P-C4' energy: -40.969
flat angles C4'-P-C4' energy: -45.164
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -49.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -532.801489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.801489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.801489 (E_RNA)
where:
Base-Base interactions energy: -342.967
where: short stacking energy: -158.763
Base-Backbone interact. energy: -1.811
local terms energy: -188.023160
where:
bonds (distance) C4'-P energy: -34.342
bonds (distance) P-C4' energy: -44.493
flat angles C4'-P-C4' energy: -34.422
flat angles P-C4'-P energy: -29.042
tors. eta vs tors. theta energy: -45.724
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: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -456.450599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.450599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.450599 (E_RNA)
where:
Base-Base interactions energy: -281.217
where: short stacking energy: -136.867
Base-Backbone interact. energy: 1.414
local terms energy: -176.647341
where:
bonds (distance) C4'-P energy: -39.043
bonds (distance) P-C4' energy: -37.996
flat angles C4'-P-C4' energy: -42.252
flat angles P-C4'-P energy: -30.380
tors. eta vs tors. theta energy: -26.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -426.333039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.333039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.333039 (E_RNA)
where:
Base-Base interactions energy: -263.693
where: short stacking energy: -120.189
Base-Backbone interact. energy: -1.269
local terms energy: -161.370965
where:
bonds (distance) C4'-P energy: -37.175
bonds (distance) P-C4' energy: -32.950
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -28.260
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -327.147460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.147460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.147460 (E_RNA)
where:
Base-Base interactions energy: -176.875
where: short stacking energy: -100.151
Base-Backbone interact. energy: 0.011
local terms energy: -150.282892
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -38.455
flat angles C4'-P-C4' energy: -36.801
flat angles P-C4'-P energy: -24.338
tors. eta vs tors. theta energy: -10.092
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: 143
Temperature: 1.250000
Total energy: -198.282259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.282259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.282259 (E_RNA)
where:
Base-Base interactions energy: -52.479
where: short stacking energy: -52.479
Base-Backbone interact. energy: -0.751
local terms energy: -145.051974
where:
bonds (distance) C4'-P energy: -42.882
bonds (distance) P-C4' energy: -44.057
flat angles C4'-P-C4' energy: -27.335
flat angles P-C4'-P energy: -24.822
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -189.102814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.102814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.102814 (E_RNA)
where:
Base-Base interactions energy: -54.176
where: short stacking energy: -47.711
Base-Backbone interact. energy: 0.070
local terms energy: -134.996907
where:
bonds (distance) C4'-P energy: -37.214
bonds (distance) P-C4' energy: -47.314
flat angles C4'-P-C4' energy: -27.466
flat angles P-C4'-P energy: -20.145
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: 2
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -178.789362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.789362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.789362 (E_RNA)
where:
Base-Base interactions energy: -60.396
where: short stacking energy: -43.767
Base-Backbone interact. energy: 5.551
local terms energy: -123.944680
where:
bonds (distance) C4'-P energy: -28.144
bonds (distance) P-C4' energy: -38.121
flat angles C4'-P-C4' energy: -38.831
flat angles P-C4'-P energy: -23.171
tors. eta vs tors. theta energy: 4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -662.189665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.189665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.189665 (E_RNA)
where:
Base-Base interactions energy: -430.814
where: short stacking energy: -205.003
Base-Backbone interact. energy: 0.377
local terms energy: -231.752814
where:
bonds (distance) C4'-P energy: -48.908
bonds (distance) P-C4' energy: -41.753
flat angles C4'-P-C4' energy: -48.979
flat angles P-C4'-P energy: -32.314
tors. eta vs tors. theta energy: -59.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -585.034631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.034631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.034631 (E_RNA)
where:
Base-Base interactions energy: -371.766
where: short stacking energy: -153.978
Base-Backbone interact. energy: -0.200
local terms energy: -213.068822
where:
bonds (distance) C4'-P energy: -43.026
bonds (distance) P-C4' energy: -46.900
flat angles C4'-P-C4' energy: -44.315
flat angles P-C4'-P energy: -32.165
tors. eta vs tors. theta energy: -46.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -588.894011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.894011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.894011 (E_RNA)
where:
Base-Base interactions energy: -389.562
where: short stacking energy: -168.338
Base-Backbone interact. energy: -0.132
local terms energy: -199.200175
where:
bonds (distance) C4'-P energy: -38.005
bonds (distance) P-C4' energy: -38.645
flat angles C4'-P-C4' energy: -46.631
flat angles P-C4'-P energy: -32.648
tors. eta vs tors. theta energy: -43.270
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: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -501.700689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.700689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.700689 (E_RNA)
where:
Base-Base interactions energy: -313.570
where: short stacking energy: -158.285
Base-Backbone interact. energy: -0.277
local terms energy: -187.854303
where:
bonds (distance) C4'-P energy: -41.026
bonds (distance) P-C4' energy: -46.658
flat angles C4'-P-C4' energy: -34.361
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -34.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -463.288605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.288605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.288605 (E_RNA)
where:
Base-Base interactions energy: -291.657
where: short stacking energy: -144.163
Base-Backbone interact. energy: -1.001
local terms energy: -170.631351
where:
bonds (distance) C4'-P energy: -34.261
bonds (distance) P-C4' energy: -39.094
flat angles C4'-P-C4' energy: -41.704
flat angles P-C4'-P energy: -27.642
tors. eta vs tors. theta energy: -27.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -433.398073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.398073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.398073 (E_RNA)
where:
Base-Base interactions energy: -272.152
where: short stacking energy: -151.077
Base-Backbone interact. energy: 0.019
local terms energy: -161.264714
where:
bonds (distance) C4'-P energy: -37.825
bonds (distance) P-C4' energy: -34.581
flat angles C4'-P-C4' energy: -33.752
flat angles P-C4'-P energy: -23.485
tors. eta vs tors. theta energy: -31.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -353.994349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.994349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.994349 (E_RNA)
where:
Base-Base interactions energy: -207.987
where: short stacking energy: -94.410
Base-Backbone interact. energy: 0.163
local terms energy: -146.170286
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -35.344
flat angles C4'-P-C4' energy: -27.161
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -15.692
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: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -207.212155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.212155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.212155 (E_RNA)
where:
Base-Base interactions energy: -62.719
where: short stacking energy: -59.986
Base-Backbone interact. energy: -2.059
local terms energy: -142.433727
where:
bonds (distance) C4'-P energy: -36.675
bonds (distance) P-C4' energy: -45.542
flat angles C4'-P-C4' energy: -32.639
flat angles P-C4'-P energy: -25.636
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: 9, replica: 2
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -241.318995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.318995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.318995 (E_RNA)
where:
Base-Base interactions energy: -135.357
where: short stacking energy: -84.985
Base-Backbone interact. energy: -0.634
local terms energy: -105.327895
where:
bonds (distance) C4'-P energy: -28.490
bonds (distance) P-C4' energy: -33.388
flat angles C4'-P-C4' energy: -25.342
flat angles P-C4'-P energy: -10.193
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: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -174.217805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.217805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.217805 (E_RNA)
where:
Base-Base interactions energy: -59.881
where: short stacking energy: -55.156
Base-Backbone interact. energy: 0.003
local terms energy: -114.339928
where:
bonds (distance) C4'-P energy: -37.539
bonds (distance) P-C4' energy: -45.015
flat angles C4'-P-C4' energy: -26.307
flat angles P-C4'-P energy: -23.014
tors. eta vs tors. theta energy: 17.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -669.609019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.609019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.609019 (E_RNA)
where:
Base-Base interactions energy: -435.908
where: short stacking energy: -204.398
Base-Backbone interact. energy: 0.232
local terms energy: -233.932636
where:
bonds (distance) C4'-P energy: -46.242
bonds (distance) P-C4' energy: -43.254
flat angles C4'-P-C4' energy: -48.353
flat angles P-C4'-P energy: -27.467
tors. eta vs tors. theta energy: -68.617
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: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -597.074892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.074892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.074892 (E_RNA)
where:
Base-Base interactions energy: -391.686
where: short stacking energy: -172.973
Base-Backbone interact. energy: -0.860
local terms energy: -204.528878
where:
bonds (distance) C4'-P energy: -41.161
bonds (distance) P-C4' energy: -42.082
flat angles C4'-P-C4' energy: -45.121
flat angles P-C4'-P energy: -28.805
tors. eta vs tors. theta energy: -47.360
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: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -604.702987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.702987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.702987 (E_RNA)
where:
Base-Base interactions energy: -402.327
where: short stacking energy: -177.283
Base-Backbone interact. energy: -0.050
local terms energy: -202.325787
where:
bonds (distance) C4'-P energy: -46.447
bonds (distance) P-C4' energy: -42.077
flat angles C4'-P-C4' energy: -45.778
flat angles P-C4'-P energy: -21.926
tors. eta vs tors. theta energy: -46.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -459.387983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.387983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.387983 (E_RNA)
where:
Base-Base interactions energy: -282.917
where: short stacking energy: -138.907
Base-Backbone interact. energy: -0.375
local terms energy: -176.095989
where:
bonds (distance) C4'-P energy: -40.788
bonds (distance) P-C4' energy: -39.839
flat angles C4'-P-C4' energy: -39.789
flat angles P-C4'-P energy: -30.324
tors. eta vs tors. theta energy: -25.356
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: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -465.963054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.963054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.963054 (E_RNA)
where:
Base-Base interactions energy: -292.220
where: short stacking energy: -139.269
Base-Backbone interact. energy: -0.442
local terms energy: -173.301905
where:
bonds (distance) C4'-P energy: -40.320
bonds (distance) P-C4' energy: -33.186
flat angles C4'-P-C4' energy: -36.628
flat angles P-C4'-P energy: -27.920
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: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -430.997725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.997725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.997725 (E_RNA)
where:
Base-Base interactions energy: -257.889
where: short stacking energy: -125.071
Base-Backbone interact. energy: -0.276
local terms energy: -172.832538
where:
bonds (distance) C4'-P energy: -32.002
bonds (distance) P-C4' energy: -36.726
flat angles C4'-P-C4' energy: -38.303
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -35.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -364.810655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.810655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.810655 (E_RNA)
where:
Base-Base interactions energy: -215.033
where: short stacking energy: -112.256
Base-Backbone interact. energy: -0.441
local terms energy: -149.337183
where:
bonds (distance) C4'-P energy: -31.143
bonds (distance) P-C4' energy: -35.901
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -26.384
tors. eta vs tors. theta energy: -18.330
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: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -254.587664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.587664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.587664 (E_RNA)
where:
Base-Base interactions energy: -119.596
where: short stacking energy: -61.339
Base-Backbone interact. energy: -0.483
local terms energy: -134.508479
where:
bonds (distance) C4'-P energy: -28.852
bonds (distance) P-C4' energy: -42.396
flat angles C4'-P-C4' energy: -44.064
flat angles P-C4'-P energy: -24.182
tors. eta vs tors. theta energy: 4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -208.113853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.113853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.113853 (E_RNA)
where:
Base-Base interactions energy: -61.794
where: short stacking energy: -53.056
Base-Backbone interact. energy: -1.521
local terms energy: -144.798943
where:
bonds (distance) C4'-P energy: -42.953
bonds (distance) P-C4' energy: -41.944
flat angles C4'-P-C4' energy: -36.206
flat angles P-C4'-P energy: -19.579
tors. eta vs tors. theta energy: -4.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -186.033755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.033755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.033755 (E_RNA)
where:
Base-Base interactions energy: -53.673
where: short stacking energy: -48.812
Base-Backbone interact. energy: -0.967
local terms energy: -131.393517
where:
bonds (distance) C4'-P energy: -29.655
bonds (distance) P-C4' energy: -33.698
flat angles C4'-P-C4' energy: -35.055
flat angles P-C4'-P energy: -34.357
tors. eta vs tors. theta energy: 1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -627.850859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.850859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.850859 (E_RNA)
where:
Base-Base interactions energy: -402.669
where: short stacking energy: -196.272
Base-Backbone interact. energy: 0.202
local terms energy: -225.383510
where:
bonds (distance) C4'-P energy: -44.615
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -50.754
flat angles P-C4'-P energy: -30.904
tors. eta vs tors. theta energy: -56.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -641.768766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.768766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.768766 (E_RNA)
where:
Base-Base interactions energy: -429.539
where: short stacking energy: -202.071
Base-Backbone interact. energy: -0.068
local terms energy: -212.161685
where:
bonds (distance) C4'-P energy: -39.573
bonds (distance) P-C4' energy: -37.358
flat angles C4'-P-C4' energy: -44.225
flat angles P-C4'-P energy: -28.797
tors. eta vs tors. theta energy: -62.208
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: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -588.489610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.489610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.489610 (E_RNA)
where:
Base-Base interactions energy: -378.128
where: short stacking energy: -181.137
Base-Backbone interact. energy: 0.058
local terms energy: -210.419890
where:
bonds (distance) C4'-P energy: -39.040
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -46.141
flat angles P-C4'-P energy: -37.110
tors. eta vs tors. theta energy: -54.467
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: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -489.298138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.298138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.298138 (E_RNA)
where:
Base-Base interactions energy: -287.731
where: short stacking energy: -138.101
Base-Backbone interact. energy: 2.769
local terms energy: -204.335774
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -49.492
flat angles C4'-P-C4' energy: -49.265
flat angles P-C4'-P energy: -34.099
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: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -452.073052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.073052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.073052 (E_RNA)
where:
Base-Base interactions energy: -290.743
where: short stacking energy: -134.851
Base-Backbone interact. energy: 1.954
local terms energy: -163.284131
where:
bonds (distance) C4'-P energy: -41.144
bonds (distance) P-C4' energy: -42.150
flat angles C4'-P-C4' energy: -36.753
flat angles P-C4'-P energy: -27.467
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -434.349899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.349899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.349899 (E_RNA)
where:
Base-Base interactions energy: -258.900
where: short stacking energy: -113.326
Base-Backbone interact. energy: -1.234
local terms energy: -174.215304
where:
bonds (distance) C4'-P energy: -37.616
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -39.401
flat angles P-C4'-P energy: -30.573
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -325.510708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.510708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.510708 (E_RNA)
where:
Base-Base interactions energy: -178.885
where: short stacking energy: -99.423
Base-Backbone interact. energy: 0.876
local terms energy: -147.501721
where:
bonds (distance) C4'-P energy: -40.931
bonds (distance) P-C4' energy: -36.895
flat angles C4'-P-C4' energy: -36.957
flat angles P-C4'-P energy: -24.926
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -266.028257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.028257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.028257 (E_RNA)
where:
Base-Base interactions energy: -128.992
where: short stacking energy: -70.512
Base-Backbone interact. energy: 0.450
local terms energy: -137.485512
where:
bonds (distance) C4'-P energy: -34.635
bonds (distance) P-C4' energy: -42.523
flat angles C4'-P-C4' energy: -35.027
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -12.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -195.132695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.132695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.132695 (E_RNA)
where:
Base-Base interactions energy: -79.405
where: short stacking energy: -68.170
Base-Backbone interact. energy: 1.152
local terms energy: -116.880146
where:
bonds (distance) C4'-P energy: -26.483
bonds (distance) P-C4' energy: -37.464
flat angles C4'-P-C4' energy: -24.223
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -179.044993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.044993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.044993 (E_RNA)
where:
Base-Base interactions energy: -59.624
where: short stacking energy: -55.513
Base-Backbone interact. energy: -2.681
local terms energy: -116.740040
where:
bonds (distance) C4'-P energy: -34.000
bonds (distance) P-C4' energy: -35.234
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: 3.307
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: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -622.761131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.761131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.761131 (E_RNA)
where:
Base-Base interactions energy: -405.186
where: short stacking energy: -185.925
Base-Backbone interact. energy: 0.872
local terms energy: -218.447530
where:
bonds (distance) C4'-P energy: -43.004
bonds (distance) P-C4' energy: -40.132
flat angles C4'-P-C4' energy: -48.005
flat angles P-C4'-P energy: -34.512
tors. eta vs tors. theta energy: -52.795
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: 5
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -631.447735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.447735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.447735 (E_RNA)
where:
Base-Base interactions energy: -413.101
where: short stacking energy: -191.389
Base-Backbone interact. energy: -0.062
local terms energy: -218.284390
where:
bonds (distance) C4'-P energy: -46.700
bonds (distance) P-C4' energy: -46.915
flat angles C4'-P-C4' energy: -43.309
flat angles P-C4'-P energy: -22.766
tors. eta vs tors. theta energy: -58.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -573.004386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.004386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.004386 (E_RNA)
where:
Base-Base interactions energy: -369.119
where: short stacking energy: -165.317
Base-Backbone interact. energy: -1.236
local terms energy: -202.649185
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -44.378
flat angles C4'-P-C4' energy: -46.195
flat angles P-C4'-P energy: -21.809
tors. eta vs tors. theta energy: -46.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -458.712446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.712446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.712446 (E_RNA)
where:
Base-Base interactions energy: -282.269
where: short stacking energy: -147.232
Base-Backbone interact. energy: -0.884
local terms energy: -175.559919
where:
bonds (distance) C4'-P energy: -36.942
bonds (distance) P-C4' energy: -47.364
flat angles C4'-P-C4' energy: -34.777
flat angles P-C4'-P energy: -22.294
tors. eta vs tors. theta energy: -34.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -480.538867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.538867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.538867 (E_RNA)
where:
Base-Base interactions energy: -316.581
where: short stacking energy: -135.152
Base-Backbone interact. energy: -1.539
local terms energy: -162.419067
where:
bonds (distance) C4'-P energy: -33.213
bonds (distance) P-C4' energy: -40.634
flat angles C4'-P-C4' energy: -38.098
flat angles P-C4'-P energy: -25.339
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -438.312643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.312643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.312643 (E_RNA)
where:
Base-Base interactions energy: -271.677
where: short stacking energy: -125.172
Base-Backbone interact. energy: 0.316
local terms energy: -166.951954
where:
bonds (distance) C4'-P energy: -35.378
bonds (distance) P-C4' energy: -36.917
flat angles C4'-P-C4' energy: -40.264
flat angles P-C4'-P energy: -27.819
tors. eta vs tors. theta energy: -26.575
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: 147
Temperature: 1.200000
Total energy: -331.973153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.973153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.973153 (E_RNA)
where:
Base-Base interactions energy: -172.275
where: short stacking energy: -101.108
Base-Backbone interact. energy: -1.073
local terms energy: -158.624759
where:
bonds (distance) C4'-P energy: -38.416
bonds (distance) P-C4' energy: -41.403
flat angles C4'-P-C4' energy: -33.630
flat angles P-C4'-P energy: -21.695
tors. eta vs tors. theta energy: -23.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -267.463083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.463083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.463083 (E_RNA)
where:
Base-Base interactions energy: -133.714
where: short stacking energy: -75.905
Base-Backbone interact. energy: -0.543
local terms energy: -133.206188
where:
bonds (distance) C4'-P energy: -43.796
bonds (distance) P-C4' energy: -40.932
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -203.212640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.212640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.212640 (E_RNA)
where:
Base-Base interactions energy: -75.983
where: short stacking energy: -43.578
Base-Backbone interact. energy: -0.141
local terms energy: -127.088468
where:
bonds (distance) C4'-P energy: -33.063
bonds (distance) P-C4' energy: -39.361
flat angles C4'-P-C4' energy: -31.634
flat angles P-C4'-P energy: -23.065
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -190.113215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.113215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.113215 (E_RNA)
where:
Base-Base interactions energy: -72.930
where: short stacking energy: -56.918
Base-Backbone interact. energy: -0.994
local terms energy: -116.189565
where:
bonds (distance) C4'-P energy: -37.353
bonds (distance) P-C4' energy: -35.433
flat angles C4'-P-C4' energy: -35.539
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: 4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -650.689502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.689502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.689502 (E_RNA)
where:
Base-Base interactions energy: -418.374
where: short stacking energy: -200.318
Base-Backbone interact. energy: -0.982
local terms energy: -231.332852
where:
bonds (distance) C4'-P energy: -38.063
bonds (distance) P-C4' energy: -46.398
flat angles C4'-P-C4' energy: -55.473
flat angles P-C4'-P energy: -31.360
tors. eta vs tors. theta energy: -60.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -604.474529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.474529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.474529 (E_RNA)
where:
Base-Base interactions energy: -395.524
where: short stacking energy: -187.663
Base-Backbone interact. energy: -1.151
local terms energy: -207.799770
where:
bonds (distance) C4'-P energy: -41.900
bonds (distance) P-C4' energy: -39.936
flat angles C4'-P-C4' energy: -45.897
flat angles P-C4'-P energy: -32.583
tors. eta vs tors. theta energy: -47.484
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: 3, replica: 8
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -576.516684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.516684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.516684 (E_RNA)
where:
Base-Base interactions energy: -385.580
where: short stacking energy: -160.900
Base-Backbone interact. energy: -0.836
local terms energy: -190.100691
where:
bonds (distance) C4'-P energy: -35.029
bonds (distance) P-C4' energy: -43.483
flat angles C4'-P-C4' energy: -47.421
flat angles P-C4'-P energy: -27.701
tors. eta vs tors. theta energy: -36.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -474.804889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.804889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.804889 (E_RNA)
where:
Base-Base interactions energy: -281.171
where: short stacking energy: -149.649
Base-Backbone interact. energy: -0.524
local terms energy: -193.110035
where:
bonds (distance) C4'-P energy: -44.760
bonds (distance) P-C4' energy: -38.561
flat angles C4'-P-C4' energy: -46.440
flat angles P-C4'-P energy: -23.925
tors. eta vs tors. theta energy: -39.423
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: 6
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -436.124530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.124530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.124530 (E_RNA)
where:
Base-Base interactions energy: -281.779
where: short stacking energy: -115.235
Base-Backbone interact. energy: -0.621
local terms energy: -153.725114
where:
bonds (distance) C4'-P energy: -31.014
bonds (distance) P-C4' energy: -36.916
flat angles C4'-P-C4' energy: -39.014
flat angles P-C4'-P energy: -30.013
tors. eta vs tors. theta energy: -16.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -465.702179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.702179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.702179 (E_RNA)
where:
Base-Base interactions energy: -275.755
where: short stacking energy: -124.970
Base-Backbone interact. energy: -0.487
local terms energy: -189.459309
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -43.655
flat angles C4'-P-C4' energy: -46.349
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -38.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -322.715231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.715231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.715231 (E_RNA)
where:
Base-Base interactions energy: -189.215
where: short stacking energy: -99.843
Base-Backbone interact. energy: -0.367
local terms energy: -133.133074
where:
bonds (distance) C4'-P energy: -33.975
bonds (distance) P-C4' energy: -34.866
flat angles C4'-P-C4' energy: -30.518
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -19.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -282.841523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.841523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.841523 (E_RNA)
where:
Base-Base interactions energy: -143.410
where: short stacking energy: -77.523
Base-Backbone interact. energy: -0.676
local terms energy: -138.756201
where:
bonds (distance) C4'-P energy: -37.103
bonds (distance) P-C4' energy: -37.683
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -27.675
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -233.597522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.597522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.597522 (E_RNA)
where:
Base-Base interactions energy: -108.156
where: short stacking energy: -59.304
Base-Backbone interact. energy: 0.731
local terms energy: -126.172776
where:
bonds (distance) C4'-P energy: -22.673
bonds (distance) P-C4' energy: -37.268
flat angles C4'-P-C4' energy: -36.153
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -5.485
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: 9
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -184.715944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.715944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.715944 (E_RNA)
where:
Base-Base interactions energy: -54.505
where: short stacking energy: -42.117
Base-Backbone interact. energy: -1.001
local terms energy: -129.209387
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -43.508
flat angles C4'-P-C4' energy: -32.292
flat angles P-C4'-P energy: -28.415
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: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -650.570705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.570705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.570705 (E_RNA)
where:
Base-Base interactions energy: -430.727
where: short stacking energy: -204.146
Base-Backbone interact. energy: -0.556
local terms energy: -219.288026
where:
bonds (distance) C4'-P energy: -41.703
bonds (distance) P-C4' energy: -44.761
flat angles C4'-P-C4' energy: -42.157
flat angles P-C4'-P energy: -33.153
tors. eta vs tors. theta energy: -57.513
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: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -596.431615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.431615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.431615 (E_RNA)
where:
Base-Base interactions energy: -395.510
where: short stacking energy: -176.611
Base-Backbone interact. energy: 0.249
local terms energy: -201.170475
where:
bonds (distance) C4'-P energy: -35.914
bonds (distance) P-C4' energy: -39.473
flat angles C4'-P-C4' energy: -53.072
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -46.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -579.200450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.200450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.200450 (E_RNA)
where:
Base-Base interactions energy: -366.757
where: short stacking energy: -175.801
Base-Backbone interact. energy: -1.136
local terms energy: -211.308098
where:
bonds (distance) C4'-P energy: -44.784
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -42.861
flat angles P-C4'-P energy: -29.965
tors. eta vs tors. theta energy: -49.375
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: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -478.279613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.279613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.279613 (E_RNA)
where:
Base-Base interactions energy: -275.247
where: short stacking energy: -145.273
Base-Backbone interact. energy: -0.322
local terms energy: -202.710891
where:
bonds (distance) C4'-P energy: -39.793
bonds (distance) P-C4' energy: -40.702
flat angles C4'-P-C4' energy: -51.280
flat angles P-C4'-P energy: -31.981
tors. eta vs tors. theta energy: -38.954
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: 6
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -447.309049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.309049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.309049 (E_RNA)
where:
Base-Base interactions energy: -270.635
where: short stacking energy: -136.008
Base-Backbone interact. energy: -0.122
local terms energy: -176.551457
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -38.070
flat angles C4'-P-C4' energy: -40.299
flat angles P-C4'-P energy: -29.766
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -445.363648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.363648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.363648 (E_RNA)
where:
Base-Base interactions energy: -258.496
where: short stacking energy: -127.076
Base-Backbone interact. energy: 0.546
local terms energy: -187.413160
where:
bonds (distance) C4'-P energy: -37.416
bonds (distance) P-C4' energy: -37.843
flat angles C4'-P-C4' energy: -49.363
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -35.159
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: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -312.177231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.177231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.177231 (E_RNA)
where:
Base-Base interactions energy: -166.176
where: short stacking energy: -84.517
Base-Backbone interact. energy: 1.995
local terms energy: -147.996083
where:
bonds (distance) C4'-P energy: -41.931
bonds (distance) P-C4' energy: -40.390
flat angles C4'-P-C4' energy: -36.371
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -303.846144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.846144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.846144 (E_RNA)
where:
Base-Base interactions energy: -159.972
where: short stacking energy: -86.245
Base-Backbone interact. energy: -0.409
local terms energy: -143.465197
where:
bonds (distance) C4'-P energy: -42.200
bonds (distance) P-C4' energy: -36.331
flat angles C4'-P-C4' energy: -33.767
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -219.746594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.746594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.746594 (E_RNA)
where:
Base-Base interactions energy: -85.646
where: short stacking energy: -57.111
Base-Backbone interact. energy: -1.016
local terms energy: -133.085019
where:
bonds (distance) C4'-P energy: -37.478
bonds (distance) P-C4' energy: -38.591
flat angles C4'-P-C4' energy: -37.714
flat angles P-C4'-P energy: -26.010
tors. eta vs tors. theta energy: 6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -183.190340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.190340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.190340 (E_RNA)
where:
Base-Base interactions energy: -81.342
where: short stacking energy: -45.547
Base-Backbone interact. energy: -0.282
local terms energy: -101.566118
where:
bonds (distance) C4'-P energy: -26.767
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -30.266
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: 8.185
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: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -652.072229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.072229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.072229 (E_RNA)
where:
Base-Base interactions energy: -423.579
where: short stacking energy: -198.134
Base-Backbone interact. energy: -0.302
local terms energy: -228.191130
where:
bonds (distance) C4'-P energy: -46.456
bonds (distance) P-C4' energy: -43.404
flat angles C4'-P-C4' energy: -48.229
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -62.311
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: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -597.262249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.262249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.262249 (E_RNA)
where:
Base-Base interactions energy: -389.229
where: short stacking energy: -175.165
Base-Backbone interact. energy: -0.348
local terms energy: -207.685592
where:
bonds (distance) C4'-P energy: -38.976
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -48.182
flat angles P-C4'-P energy: -30.701
tors. eta vs tors. theta energy: -48.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -586.413001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.413001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.413001 (E_RNA)
where:
Base-Base interactions energy: -380.003
where: short stacking energy: -176.997
Base-Backbone interact. energy: 0.158
local terms energy: -206.568260
where:
bonds (distance) C4'-P energy: -40.897
bonds (distance) P-C4' energy: -42.633
flat angles C4'-P-C4' energy: -44.937
flat angles P-C4'-P energy: -28.908
tors. eta vs tors. theta energy: -49.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -477.272903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.272903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.272903 (E_RNA)
where:
Base-Base interactions energy: -287.532
where: short stacking energy: -143.469
Base-Backbone interact. energy: -0.838
local terms energy: -188.903476
where:
bonds (distance) C4'-P energy: -44.536
bonds (distance) P-C4' energy: -46.191
flat angles C4'-P-C4' energy: -38.684
flat angles P-C4'-P energy: -26.589
tors. eta vs tors. theta energy: -32.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -450.436483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.436483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.436483 (E_RNA)
where:
Base-Base interactions energy: -288.557
where: short stacking energy: -116.574
Base-Backbone interact. energy: -1.344
local terms energy: -160.535868
where:
bonds (distance) C4'-P energy: -31.142
bonds (distance) P-C4' energy: -42.213
flat angles C4'-P-C4' energy: -33.062
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -27.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -408.219938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.219938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.219938 (E_RNA)
where:
Base-Base interactions energy: -268.453
where: short stacking energy: -112.768
Base-Backbone interact. energy: -1.344
local terms energy: -138.422101
where:
bonds (distance) C4'-P energy: -42.537
bonds (distance) P-C4' energy: -34.446
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -17.049
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: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -321.784024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.784024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.784024 (E_RNA)
where:
Base-Base interactions energy: -193.984
where: short stacking energy: -100.073
Base-Backbone interact. energy: -0.802
local terms energy: -126.998470
where:
bonds (distance) C4'-P energy: -24.871
bonds (distance) P-C4' energy: -41.265
flat angles C4'-P-C4' energy: -32.229
flat angles P-C4'-P energy: -17.515
tors. eta vs tors. theta energy: -11.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -284.374030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.374030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.374030 (E_RNA)
where:
Base-Base interactions energy: -137.743
where: short stacking energy: -80.887
Base-Backbone interact. energy: -0.519
local terms energy: -146.112138
where:
bonds (distance) C4'-P energy: -31.435
bonds (distance) P-C4' energy: -41.608
flat angles C4'-P-C4' energy: -34.823
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: -14.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -178.567041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.567041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.567041 (E_RNA)
where:
Base-Base interactions energy: -54.498
where: short stacking energy: -44.996
Base-Backbone interact. energy: 0.293
local terms energy: -124.362654
where:
bonds (distance) C4'-P energy: -32.662
bonds (distance) P-C4' energy: -32.564
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -26.972
tors. eta vs tors. theta energy: 0.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -178.590684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.590684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.590684 (E_RNA)
where:
Base-Base interactions energy: -47.237
where: short stacking energy: -45.969
Base-Backbone interact. energy: -0.954
local terms energy: -130.399984
where:
bonds (distance) C4'-P energy: -42.573
bonds (distance) P-C4' energy: -46.988
flat angles C4'-P-C4' energy: -35.520
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: 14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -657.908481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.908481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.908481 (E_RNA)
where:
Base-Base interactions energy: -433.844
where: short stacking energy: -204.744
Base-Backbone interact. energy: 0.178
local terms energy: -224.242510
where:
bonds (distance) C4'-P energy: -40.293
bonds (distance) P-C4' energy: -41.540
flat angles C4'-P-C4' energy: -45.705
flat angles P-C4'-P energy: -34.293
tors. eta vs tors. theta energy: -62.411
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: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -624.242765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.242765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.242765 (E_RNA)
where:
Base-Base interactions energy: -404.072
where: short stacking energy: -193.290
Base-Backbone interact. energy: -1.004
local terms energy: -219.166702
where:
bonds (distance) C4'-P energy: -38.941
bonds (distance) P-C4' energy: -41.565
flat angles C4'-P-C4' energy: -46.434
flat angles P-C4'-P energy: -36.662
tors. eta vs tors. theta energy: -55.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -566.761842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.761842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.761842 (E_RNA)
where:
Base-Base interactions energy: -361.652
where: short stacking energy: -163.695
Base-Backbone interact. energy: -0.881
local terms energy: -204.228889
where:
bonds (distance) C4'-P energy: -42.918
bonds (distance) P-C4' energy: -35.303
flat angles C4'-P-C4' energy: -39.805
flat angles P-C4'-P energy: -37.598
tors. eta vs tors. theta energy: -48.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -465.800812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.800812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.800812 (E_RNA)
where:
Base-Base interactions energy: -281.281
where: short stacking energy: -151.116
Base-Backbone interact. energy: -0.814
local terms energy: -183.706302
where:
bonds (distance) C4'-P energy: -38.752
bonds (distance) P-C4' energy: -46.965
flat angles C4'-P-C4' energy: -44.591
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -38.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -490.684630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.684630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.684630 (E_RNA)
where:
Base-Base interactions energy: -307.235
where: short stacking energy: -157.698
Base-Backbone interact. energy: -1.431
local terms energy: -182.018765
where:
bonds (distance) C4'-P energy: -33.824
bonds (distance) P-C4' energy: -41.063
flat angles C4'-P-C4' energy: -40.992
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -46.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -467.057597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.057597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.057597 (E_RNA)
where:
Base-Base interactions energy: -298.361
where: short stacking energy: -145.081
Base-Backbone interact. energy: 0.079
local terms energy: -168.776183
where:
bonds (distance) C4'-P energy: -31.939
bonds (distance) P-C4' energy: -41.124
flat angles C4'-P-C4' energy: -40.499
flat angles P-C4'-P energy: -24.800
tors. eta vs tors. theta energy: -30.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -337.718375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.718375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.718375 (E_RNA)
where:
Base-Base interactions energy: -207.898
where: short stacking energy: -96.906
Base-Backbone interact. energy: -0.690
local terms energy: -129.130881
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -50.476
flat angles C4'-P-C4' energy: -30.581
flat angles P-C4'-P energy: -20.632
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -264.702550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.702550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.702550 (E_RNA)
where:
Base-Base interactions energy: -117.145
where: short stacking energy: -72.525
Base-Backbone interact. energy: 5.175
local terms energy: -152.733091
where:
bonds (distance) C4'-P energy: -44.803
bonds (distance) P-C4' energy: -42.867
flat angles C4'-P-C4' energy: -37.853
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -196.586957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.586957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.586957 (E_RNA)
where:
Base-Base interactions energy: -72.392
where: short stacking energy: -57.079
Base-Backbone interact. energy: 1.791
local terms energy: -125.985545
where:
bonds (distance) C4'-P energy: -38.857
bonds (distance) P-C4' energy: -39.098
flat angles C4'-P-C4' energy: -35.230
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: 2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -171.897155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.897155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.897155 (E_RNA)
where:
Base-Base interactions energy: -62.438
where: short stacking energy: -56.155
Base-Backbone interact. energy: -0.836
local terms energy: -108.623587
where:
bonds (distance) C4'-P energy: -25.122
bonds (distance) P-C4' energy: -41.198
flat angles C4'-P-C4' energy: -39.484
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: 3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -622.394435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.394435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.394435 (E_RNA)
where:
Base-Base interactions energy: -406.043
where: short stacking energy: -192.372
Base-Backbone interact. energy: -0.670
local terms energy: -215.681024
where:
bonds (distance) C4'-P energy: -42.004
bonds (distance) P-C4' energy: -40.953
flat angles C4'-P-C4' energy: -51.073
flat angles P-C4'-P energy: -29.375
tors. eta vs tors. theta energy: -52.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -638.185395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.185395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.185395 (E_RNA)
where:
Base-Base interactions energy: -415.891
where: short stacking energy: -192.690
Base-Backbone interact. energy: 1.161
local terms energy: -223.455694
where:
bonds (distance) C4'-P energy: -41.074
bonds (distance) P-C4' energy: -38.942
flat angles C4'-P-C4' energy: -48.793
flat angles P-C4'-P energy: -35.640
tors. eta vs tors. theta energy: -59.007
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: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -577.117039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.117039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.117039 (E_RNA)
where:
Base-Base interactions energy: -371.796
where: short stacking energy: -172.322
Base-Backbone interact. energy: -0.737
local terms energy: -204.584002
where:
bonds (distance) C4'-P energy: -39.946
bonds (distance) P-C4' energy: -44.253
flat angles C4'-P-C4' energy: -40.402
flat angles P-C4'-P energy: -30.530
tors. eta vs tors. theta energy: -49.453
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: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -488.150068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.150068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.150068 (E_RNA)
where:
Base-Base interactions energy: -304.802
where: short stacking energy: -165.059
Base-Backbone interact. energy: -1.278
local terms energy: -182.069740
where:
bonds (distance) C4'-P energy: -30.515
bonds (distance) P-C4' energy: -41.823
flat angles C4'-P-C4' energy: -42.172
flat angles P-C4'-P energy: -29.455
tors. eta vs tors. theta energy: -38.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -489.916193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.916193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.916193 (E_RNA)
where:
Base-Base interactions energy: -300.641
where: short stacking energy: -143.807
Base-Backbone interact. energy: -0.627
local terms energy: -188.648965
where:
bonds (distance) C4'-P energy: -46.194
bonds (distance) P-C4' energy: -41.262
flat angles C4'-P-C4' energy: -39.900
flat angles P-C4'-P energy: -26.708
tors. eta vs tors. theta energy: -34.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -455.847434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.847434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.847434 (E_RNA)
where:
Base-Base interactions energy: -287.919
where: short stacking energy: -146.532
Base-Backbone interact. energy: -0.285
local terms energy: -167.643777
where:
bonds (distance) C4'-P energy: -32.770
bonds (distance) P-C4' energy: -44.042
flat angles C4'-P-C4' energy: -32.241
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -40.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -333.169856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.169856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.169856 (E_RNA)
where:
Base-Base interactions energy: -193.283
where: short stacking energy: -88.885
Base-Backbone interact. energy: -1.159
local terms energy: -138.728343
where:
bonds (distance) C4'-P energy: -29.818
bonds (distance) P-C4' energy: -36.386
flat angles C4'-P-C4' energy: -33.559
flat angles P-C4'-P energy: -25.701
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -250.300166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.300166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.300166 (E_RNA)
where:
Base-Base interactions energy: -120.152
where: short stacking energy: -80.994
Base-Backbone interact. energy: -0.257
local terms energy: -129.890890
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -31.884
flat angles C4'-P-C4' energy: -36.700
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -195.206938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.206938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.206938 (E_RNA)
where:
Base-Base interactions energy: -75.110
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.070
local terms energy: -120.026468
where:
bonds (distance) C4'-P energy: -34.519
bonds (distance) P-C4' energy: -37.510
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -177.826496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.826496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.826496 (E_RNA)
where:
Base-Base interactions energy: -64.441
where: short stacking energy: -53.873
Base-Backbone interact. energy: 2.134
local terms energy: -115.519756
where:
bonds (distance) C4'-P energy: -43.324
bonds (distance) P-C4' energy: -36.358
flat angles C4'-P-C4' energy: -24.890
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: 7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -620.474063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.474063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.474063 (E_RNA)
where:
Base-Base interactions energy: -412.091
where: short stacking energy: -195.624
Base-Backbone interact. energy: -0.925
local terms energy: -207.457425
where:
bonds (distance) C4'-P energy: -37.352
bonds (distance) P-C4' energy: -40.074
flat angles C4'-P-C4' energy: -45.565
flat angles P-C4'-P energy: -32.074
tors. eta vs tors. theta energy: -52.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -640.273446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.273446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.273446 (E_RNA)
where:
Base-Base interactions energy: -424.846
where: short stacking energy: -200.474
Base-Backbone interact. energy: -1.100
local terms energy: -214.326939
where:
bonds (distance) C4'-P energy: -33.967
bonds (distance) P-C4' energy: -44.263
flat angles C4'-P-C4' energy: -43.027
flat angles P-C4'-P energy: -30.710
tors. eta vs tors. theta energy: -62.360
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: 8
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -591.393585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.393585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.393585 (E_RNA)
where:
Base-Base interactions energy: -380.461
where: short stacking energy: -186.983
Base-Backbone interact. energy: -0.220
local terms energy: -210.712330
where:
bonds (distance) C4'-P energy: -37.642
bonds (distance) P-C4' energy: -38.067
flat angles C4'-P-C4' energy: -45.520
flat angles P-C4'-P energy: -36.120
tors. eta vs tors. theta energy: -53.363
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: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -487.149540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.149540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.149540 (E_RNA)
where:
Base-Base interactions energy: -294.646
where: short stacking energy: -145.823
Base-Backbone interact. energy: -0.929
local terms energy: -191.574031
where:
bonds (distance) C4'-P energy: -33.314
bonds (distance) P-C4' energy: -44.939
flat angles C4'-P-C4' energy: -45.630
flat angles P-C4'-P energy: -30.859
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: 5, replica: 7
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -508.461753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.461753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.461753 (E_RNA)
where:
Base-Base interactions energy: -316.694
where: short stacking energy: -142.931
Base-Backbone interact. energy: -0.502
local terms energy: -191.265278
where:
bonds (distance) C4'-P energy: -40.244
bonds (distance) P-C4' energy: -41.501
flat angles C4'-P-C4' energy: -48.348
flat angles P-C4'-P energy: -28.838
tors. eta vs tors. theta energy: -32.333
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: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -431.265639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.265639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.265639 (E_RNA)
where:
Base-Base interactions energy: -264.860
where: short stacking energy: -142.358
Base-Backbone interact. energy: -0.772
local terms energy: -165.633318
where:
bonds (distance) C4'-P energy: -31.726
bonds (distance) P-C4' energy: -38.081
flat angles C4'-P-C4' energy: -43.591
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -31.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -331.477699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.477699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.477699 (E_RNA)
where:
Base-Base interactions energy: -168.990
where: short stacking energy: -84.846
Base-Backbone interact. energy: 1.530
local terms energy: -164.018436
where:
bonds (distance) C4'-P energy: -40.508
bonds (distance) P-C4' energy: -49.807
flat angles C4'-P-C4' energy: -41.088
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -215.702265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.702265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.702265 (E_RNA)
where:
Base-Base interactions energy: -86.275
where: short stacking energy: -70.604
Base-Backbone interact. energy: -1.061
local terms energy: -128.366238
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -36.629
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -195.914880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.914880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.914880 (E_RNA)
where:
Base-Base interactions energy: -52.035
where: short stacking energy: -49.531
Base-Backbone interact. energy: 0.870
local terms energy: -144.749892
where:
bonds (distance) C4'-P energy: -43.916
bonds (distance) P-C4' energy: -45.660
flat angles C4'-P-C4' energy: -28.228
flat angles P-C4'-P energy: -27.237
tors. eta vs tors. theta energy: 0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -185.240431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.240431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.240431 (E_RNA)
where:
Base-Base interactions energy: -57.727
where: short stacking energy: -53.345
Base-Backbone interact. energy: -0.602
local terms energy: -126.911260
where:
bonds (distance) C4'-P energy: -38.021
bonds (distance) P-C4' energy: -38.574
flat angles C4'-P-C4' energy: -33.901
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -659.663772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.663772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.663772 (E_RNA)
where:
Base-Base interactions energy: -436.562
where: short stacking energy: -218.910
Base-Backbone interact. energy: -0.567
local terms energy: -222.534105
where:
bonds (distance) C4'-P energy: -41.152
bonds (distance) P-C4' energy: -41.707
flat angles C4'-P-C4' energy: -45.759
flat angles P-C4'-P energy: -31.520
tors. eta vs tors. theta energy: -62.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -618.777017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.777017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.777017 (E_RNA)
where:
Base-Base interactions energy: -403.477
where: short stacking energy: -181.814
Base-Backbone interact. energy: 1.716
local terms energy: -217.015562
where:
bonds (distance) C4'-P energy: -40.743
bonds (distance) P-C4' energy: -48.384
flat angles C4'-P-C4' energy: -46.334
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -51.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -576.644546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.644546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.644546 (E_RNA)
where:
Base-Base interactions energy: -368.406
where: short stacking energy: -176.469
Base-Backbone interact. energy: 0.642
local terms energy: -208.881334
where:
bonds (distance) C4'-P energy: -45.141
bonds (distance) P-C4' energy: -40.933
flat angles C4'-P-C4' energy: -49.978
flat angles P-C4'-P energy: -28.052
tors. eta vs tors. theta energy: -44.777
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: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -492.579376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.579376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.579376 (E_RNA)
where:
Base-Base interactions energy: -310.925
where: short stacking energy: -146.444
Base-Backbone interact. energy: -0.249
local terms energy: -181.405000
where:
bonds (distance) C4'-P energy: -38.172
bonds (distance) P-C4' energy: -42.741
flat angles C4'-P-C4' energy: -38.292
flat angles P-C4'-P energy: -28.971
tors. eta vs tors. theta energy: -33.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -516.846204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.846204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.846204 (E_RNA)
where:
Base-Base interactions energy: -315.635
where: short stacking energy: -161.763
Base-Backbone interact. energy: -0.489
local terms energy: -200.721716
where:
bonds (distance) C4'-P energy: -42.420
bonds (distance) P-C4' energy: -43.263
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -28.243
tors. eta vs tors. theta energy: -46.624
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: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -440.520968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.520968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.520968 (E_RNA)
where:
Base-Base interactions energy: -262.192
where: short stacking energy: -123.790
Base-Backbone interact. energy: 0.371
local terms energy: -178.700159
where:
bonds (distance) C4'-P energy: -36.870
bonds (distance) P-C4' energy: -44.930
flat angles C4'-P-C4' energy: -46.863
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -29.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -342.073515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.073515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.073515 (E_RNA)
where:
Base-Base interactions energy: -191.485
where: short stacking energy: -91.328
Base-Backbone interact. energy: 0.022
local terms energy: -150.610917
where:
bonds (distance) C4'-P energy: -45.156
bonds (distance) P-C4' energy: -37.336
flat angles C4'-P-C4' energy: -25.588
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -20.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -221.666831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.666831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.666831 (E_RNA)
where:
Base-Base interactions energy: -97.249
where: short stacking energy: -86.466
Base-Backbone interact. energy: 0.289
local terms energy: -124.707556
where:
bonds (distance) C4'-P energy: -26.173
bonds (distance) P-C4' energy: -40.531
flat angles C4'-P-C4' energy: -35.509
flat angles P-C4'-P energy: -13.212
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: 9, replica: 2
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -198.543901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.543901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.543901 (E_RNA)
where:
Base-Base interactions energy: -62.921
where: short stacking energy: -40.527
Base-Backbone interact. energy: 0.953
local terms energy: -136.575946
where:
bonds (distance) C4'-P energy: -47.862
bonds (distance) P-C4' energy: -27.377
flat angles C4'-P-C4' energy: -31.857
flat angles P-C4'-P energy: -25.050
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -191.122749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.122749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.122749 (E_RNA)
where:
Base-Base interactions energy: -61.501
where: short stacking energy: -49.959
Base-Backbone interact. energy: -0.728
local terms energy: -128.893197
where:
bonds (distance) C4'-P energy: -41.306
bonds (distance) P-C4' energy: -47.293
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -12.838
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: 5
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -654.052771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.052771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.052771 (E_RNA)
where:
Base-Base interactions energy: -426.981
where: short stacking energy: -207.268
Base-Backbone interact. energy: -0.738
local terms energy: -226.333085
where:
bonds (distance) C4'-P energy: -41.422
bonds (distance) P-C4' energy: -40.631
flat angles C4'-P-C4' energy: -48.225
flat angles P-C4'-P energy: -30.942
tors. eta vs tors. theta energy: -65.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -616.437450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.437450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.437450 (E_RNA)
where:
Base-Base interactions energy: -391.653
where: short stacking energy: -190.116
Base-Backbone interact. energy: -1.112
local terms energy: -223.672390
where:
bonds (distance) C4'-P energy: -40.610
bonds (distance) P-C4' energy: -49.551
flat angles C4'-P-C4' energy: -46.613
flat angles P-C4'-P energy: -31.814
tors. eta vs tors. theta energy: -55.084
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: 8
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -578.383071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.383071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.383071 (E_RNA)
where:
Base-Base interactions energy: -362.499
where: short stacking energy: -158.768
Base-Backbone interact. energy: -0.185
local terms energy: -215.699265
where:
bonds (distance) C4'-P energy: -41.048
bonds (distance) P-C4' energy: -47.300
flat angles C4'-P-C4' energy: -50.649
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -43.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -531.491305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.491305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.491305 (E_RNA)
where:
Base-Base interactions energy: -333.641
where: short stacking energy: -166.130
Base-Backbone interact. energy: -0.216
local terms energy: -197.633977
where:
bonds (distance) C4'-P energy: -33.882
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -44.900
flat angles P-C4'-P energy: -31.111
tors. eta vs tors. theta energy: -49.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -478.789812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.789812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.789812 (E_RNA)
where:
Base-Base interactions energy: -289.786
where: short stacking energy: -138.260
Base-Backbone interact. energy: 0.079
local terms energy: -189.082944
where:
bonds (distance) C4'-P energy: -38.617
bonds (distance) P-C4' energy: -39.433
flat angles C4'-P-C4' energy: -41.399
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: -38.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -432.651262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.651262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.651262 (E_RNA)
where:
Base-Base interactions energy: -267.699
where: short stacking energy: -114.584
Base-Backbone interact. energy: -3.969
local terms energy: -160.983442
where:
bonds (distance) C4'-P energy: -39.020
bonds (distance) P-C4' energy: -46.210
flat angles C4'-P-C4' energy: -34.320
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -30.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -338.608915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.608915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.608915 (E_RNA)
where:
Base-Base interactions energy: -177.157
where: short stacking energy: -83.089
Base-Backbone interact. energy: 0.383
local terms energy: -161.834709
where:
bonds (distance) C4'-P energy: -42.891
bonds (distance) P-C4' energy: -43.390
flat angles C4'-P-C4' energy: -42.063
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -213.103724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.103724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.103724 (E_RNA)
where:
Base-Base interactions energy: -95.136
where: short stacking energy: -61.614
Base-Backbone interact. energy: 2.871
local terms energy: -120.837988
where:
bonds (distance) C4'-P energy: -34.903
bonds (distance) P-C4' energy: -38.054
flat angles C4'-P-C4' energy: -29.633
flat angles P-C4'-P energy: -27.242
tors. eta vs tors. theta energy: 8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -182.570028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.570028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.570028 (E_RNA)
where:
Base-Base interactions energy: -53.607
where: short stacking energy: -50.095
Base-Backbone interact. energy: -1.244
local terms energy: -127.719165
where:
bonds (distance) C4'-P energy: -36.211
bonds (distance) P-C4' energy: -37.995
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -22.089
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: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -167.343064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.343064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.343064 (E_RNA)
where:
Base-Base interactions energy: -53.290
where: short stacking energy: -46.311
Base-Backbone interact. energy: 2.472
local terms energy: -116.525056
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -29.586
flat angles C4'-P-C4' energy: -32.599
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: 4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -631.388164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.388164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.388164 (E_RNA)
where:
Base-Base interactions energy: -401.530
where: short stacking energy: -187.735
Base-Backbone interact. energy: -1.033
local terms energy: -228.825306
where:
bonds (distance) C4'-P energy: -44.323
bonds (distance) P-C4' energy: -45.083
flat angles C4'-P-C4' energy: -46.964
flat angles P-C4'-P energy: -33.644
tors. eta vs tors. theta energy: -58.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -635.757390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.757390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.757390 (E_RNA)
where:
Base-Base interactions energy: -403.528
where: short stacking energy: -201.943
Base-Backbone interact. energy: -0.166
local terms energy: -232.063255
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -41.272
flat angles C4'-P-C4' energy: -44.565
flat angles P-C4'-P energy: -36.532
tors. eta vs tors. theta energy: -65.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -569.855967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.855967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.855967 (E_RNA)
where:
Base-Base interactions energy: -377.587
where: short stacking energy: -172.111
Base-Backbone interact. energy: -0.206
local terms energy: -192.062746
where:
bonds (distance) C4'-P energy: -36.159
bonds (distance) P-C4' energy: -41.269
flat angles C4'-P-C4' energy: -45.513
flat angles P-C4'-P energy: -28.707
tors. eta vs tors. theta energy: -40.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -522.595571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.595571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.595571 (E_RNA)
where:
Base-Base interactions energy: -310.273
where: short stacking energy: -154.310
Base-Backbone interact. energy: -1.638
local terms energy: -210.684669
where:
bonds (distance) C4'-P energy: -44.567
bonds (distance) P-C4' energy: -47.501
flat angles C4'-P-C4' energy: -45.204
flat angles P-C4'-P energy: -24.779
tors. eta vs tors. theta energy: -48.633
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: 6
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -425.974398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.974398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.974398 (E_RNA)
where:
Base-Base interactions energy: -243.506
where: short stacking energy: -115.380
Base-Backbone interact. energy: -0.522
local terms energy: -181.946044
where:
bonds (distance) C4'-P energy: -43.224
bonds (distance) P-C4' energy: -34.696
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -28.873
tors. eta vs tors. theta energy: -32.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -454.215699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.215699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.215699 (E_RNA)
where:
Base-Base interactions energy: -289.562
where: short stacking energy: -134.698
Base-Backbone interact. energy: -0.668
local terms energy: -163.985673
where:
bonds (distance) C4'-P energy: -36.658
bonds (distance) P-C4' energy: -26.759
flat angles C4'-P-C4' energy: -35.887
flat angles P-C4'-P energy: -33.735
tors. eta vs tors. theta energy: -30.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -333.603332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.603332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.603332 (E_RNA)
where:
Base-Base interactions energy: -173.197
where: short stacking energy: -92.750
Base-Backbone interact. energy: 0.344
local terms energy: -160.750088
where:
bonds (distance) C4'-P energy: -37.832
bonds (distance) P-C4' energy: -43.101
flat angles C4'-P-C4' energy: -36.916
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -13.611
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: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -209.917255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.917255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.917255 (E_RNA)
where:
Base-Base interactions energy: -83.195
where: short stacking energy: -71.915
Base-Backbone interact. energy: 0.403
local terms energy: -127.124913
where:
bonds (distance) C4'-P energy: -38.788
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -36.762
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -196.408516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.408516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.408516 (E_RNA)
where:
Base-Base interactions energy: -81.192
where: short stacking energy: -65.392
Base-Backbone interact. energy: -0.541
local terms energy: -114.675414
where:
bonds (distance) C4'-P energy: -36.118
bonds (distance) P-C4' energy: -34.472
flat angles C4'-P-C4' energy: -24.091
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -187.292600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.292600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.292600 (E_RNA)
where:
Base-Base interactions energy: -63.851
where: short stacking energy: -49.834
Base-Backbone interact. energy: 0.629
local terms energy: -124.071102
where:
bonds (distance) C4'-P energy: -39.733
bonds (distance) P-C4' energy: -37.521
flat angles C4'-P-C4' energy: -34.531
flat angles P-C4'-P energy: -18.560
tors. eta vs tors. theta energy: 6.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -631.370451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.370451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.370451 (E_RNA)
where:
Base-Base interactions energy: -409.911
where: short stacking energy: -187.818
Base-Backbone interact. energy: 1.327
local terms energy: -222.786411
where:
bonds (distance) C4'-P energy: -37.913
bonds (distance) P-C4' energy: -44.987
flat angles C4'-P-C4' energy: -50.479
flat angles P-C4'-P energy: -33.418
tors. eta vs tors. theta energy: -55.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -649.379005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.379005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.379005 (E_RNA)
where:
Base-Base interactions energy: -429.438
where: short stacking energy: -209.322
Base-Backbone interact. energy: -0.363
local terms energy: -219.577620
where:
bonds (distance) C4'-P energy: -37.019
bonds (distance) P-C4' energy: -39.707
flat angles C4'-P-C4' energy: -47.961
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -68.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -583.226886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.226886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.226886 (E_RNA)
where:
Base-Base interactions energy: -371.899
where: short stacking energy: -165.628
Base-Backbone interact. energy: -0.465
local terms energy: -210.863218
where:
bonds (distance) C4'-P energy: -46.930
bonds (distance) P-C4' energy: -45.857
flat angles C4'-P-C4' energy: -44.934
flat angles P-C4'-P energy: -27.844
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: 4, replica: 7
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -533.055559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.055559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.055559 (E_RNA)
where:
Base-Base interactions energy: -339.565
where: short stacking energy: -167.071
Base-Backbone interact. energy: -1.120
local terms energy: -192.369651
where:
bonds (distance) C4'-P energy: -35.625
bonds (distance) P-C4' energy: -44.770
flat angles C4'-P-C4' energy: -46.992
flat angles P-C4'-P energy: -26.533
tors. eta vs tors. theta energy: -38.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -410.155376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.155376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.155376 (E_RNA)
where:
Base-Base interactions energy: -237.485
where: short stacking energy: -119.464
Base-Backbone interact. energy: -0.474
local terms energy: -172.196679
where:
bonds (distance) C4'-P energy: -36.562
bonds (distance) P-C4' energy: -45.616
flat angles C4'-P-C4' energy: -42.531
flat angles P-C4'-P energy: -24.047
tors. eta vs tors. theta energy: -23.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -468.278747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.278747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.278747 (E_RNA)
where:
Base-Base interactions energy: -285.096
where: short stacking energy: -122.091
Base-Backbone interact. energy: 2.299
local terms energy: -185.481516
where:
bonds (distance) C4'-P energy: -39.378
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -48.627
flat angles P-C4'-P energy: -26.893
tors. eta vs tors. theta energy: -36.713
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: 157
Temperature: 1.200000
Total energy: -356.933324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.933324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.933324 (E_RNA)
where:
Base-Base interactions energy: -212.623
where: short stacking energy: -92.802
Base-Backbone interact. energy: 0.369
local terms energy: -144.679525
where:
bonds (distance) C4'-P energy: -31.747
bonds (distance) P-C4' energy: -36.304
flat angles C4'-P-C4' energy: -40.316
flat angles P-C4'-P energy: -22.522
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -218.876145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.876145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.876145 (E_RNA)
where:
Base-Base interactions energy: -72.616
where: short stacking energy: -72.071
Base-Backbone interact. energy: -1.354
local terms energy: -144.905992
where:
bonds (distance) C4'-P energy: -39.394
bonds (distance) P-C4' energy: -44.547
flat angles C4'-P-C4' energy: -34.446
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -212.980534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.980534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.980534 (E_RNA)
where:
Base-Base interactions energy: -71.856
where: short stacking energy: -67.755
Base-Backbone interact. energy: -0.515
local terms energy: -140.609455
where:
bonds (distance) C4'-P energy: -44.117
bonds (distance) P-C4' energy: -46.086
flat angles C4'-P-C4' energy: -29.933
flat angles P-C4'-P energy: -23.335
tors. eta vs tors. theta energy: 2.863
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: 9
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -179.127534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.127534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.127534 (E_RNA)
where:
Base-Base interactions energy: -57.325
where: short stacking energy: -56.957
Base-Backbone interact. energy: -1.465
local terms energy: -120.336956
where:
bonds (distance) C4'-P energy: -33.422
bonds (distance) P-C4' energy: -40.311
flat angles C4'-P-C4' energy: -30.468
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -657.502316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.502316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.502316 (E_RNA)
where:
Base-Base interactions energy: -422.302
where: short stacking energy: -203.107
Base-Backbone interact. energy: -0.230
local terms energy: -234.970819
where:
bonds (distance) C4'-P energy: -42.870
bonds (distance) P-C4' energy: -42.602
flat angles C4'-P-C4' energy: -50.805
flat angles P-C4'-P energy: -36.522
tors. eta vs tors. theta energy: -62.172
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: 3
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -614.172498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.172498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.172498 (E_RNA)
where:
Base-Base interactions energy: -402.856
where: short stacking energy: -186.445
Base-Backbone interact. energy: -1.697
local terms energy: -209.619706
where:
bonds (distance) C4'-P energy: -32.904
bonds (distance) P-C4' energy: -43.689
flat angles C4'-P-C4' energy: -40.225
flat angles P-C4'-P energy: -30.085
tors. eta vs tors. theta energy: -62.717
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: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -587.824111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.824111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.824111 (E_RNA)
where:
Base-Base interactions energy: -397.071
where: short stacking energy: -177.801
Base-Backbone interact. energy: -0.923
local terms energy: -189.830496
where:
bonds (distance) C4'-P energy: -28.786
bonds (distance) P-C4' energy: -47.727
flat angles C4'-P-C4' energy: -36.235
flat angles P-C4'-P energy: -30.759
tors. eta vs tors. theta energy: -46.323
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: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -533.546890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.546890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.546890 (E_RNA)
where:
Base-Base interactions energy: -328.992
where: short stacking energy: -169.230
Base-Backbone interact. energy: -0.783
local terms energy: -203.772270
where:
bonds (distance) C4'-P energy: -45.260
bonds (distance) P-C4' energy: -40.431
flat angles C4'-P-C4' energy: -48.663
flat angles P-C4'-P energy: -28.095
tors. eta vs tors. theta energy: -41.323
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: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -401.453213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.453213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.453213 (E_RNA)
where:
Base-Base interactions energy: -224.829
where: short stacking energy: -125.888
Base-Backbone interact. energy: 0.416
local terms energy: -177.040391
where:
bonds (distance) C4'-P energy: -38.470
bonds (distance) P-C4' energy: -37.495
flat angles C4'-P-C4' energy: -45.580
flat angles P-C4'-P energy: -22.778
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: 6, replica: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -467.745349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.745349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.745349 (E_RNA)
where:
Base-Base interactions energy: -300.018
where: short stacking energy: -126.839
Base-Backbone interact. energy: -0.866
local terms energy: -166.861624
where:
bonds (distance) C4'-P energy: -33.739
bonds (distance) P-C4' energy: -36.820
flat angles C4'-P-C4' energy: -44.250
flat angles P-C4'-P energy: -22.832
tors. eta vs tors. theta energy: -29.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -348.533641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.533641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.533641 (E_RNA)
where:
Base-Base interactions energy: -189.776
where: short stacking energy: -98.698
Base-Backbone interact. energy: -0.256
local terms energy: -158.502205
where:
bonds (distance) C4'-P energy: -32.522
bonds (distance) P-C4' energy: -43.842
flat angles C4'-P-C4' energy: -42.883
flat angles P-C4'-P energy: -24.607
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -211.868075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.868075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.868075 (E_RNA)
where:
Base-Base interactions energy: -74.948
where: short stacking energy: -59.728
Base-Backbone interact. energy: 1.286
local terms energy: -138.205741
where:
bonds (distance) C4'-P energy: -36.123
bonds (distance) P-C4' energy: -46.683
flat angles C4'-P-C4' energy: -33.966
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -2.869
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: 9, replica: 2
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -211.145381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.145381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.145381 (E_RNA)
where:
Base-Base interactions energy: -84.022
where: short stacking energy: -78.892
Base-Backbone interact. energy: 1.536
local terms energy: -128.659637
where:
bonds (distance) C4'-P energy: -39.082
bonds (distance) P-C4' energy: -31.916
flat angles C4'-P-C4' energy: -25.897
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -179.780967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.780967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.780967 (E_RNA)
where:
Base-Base interactions energy: -57.316
where: short stacking energy: -51.971
Base-Backbone interact. energy: 0.289
local terms energy: -122.753678
where:
bonds (distance) C4'-P energy: -42.528
bonds (distance) P-C4' energy: -46.000
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -15.328
tors. eta vs tors. theta energy: 6.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -659.723001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.723001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.723001 (E_RNA)
where:
Base-Base interactions energy: -444.107
where: short stacking energy: -217.594
Base-Backbone interact. energy: -0.213
local terms energy: -215.402587
where:
bonds (distance) C4'-P energy: -43.452
bonds (distance) P-C4' energy: -39.738
flat angles C4'-P-C4' energy: -45.689
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -61.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -603.051027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.051027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.051027 (E_RNA)
where:
Base-Base interactions energy: -383.391
where: short stacking energy: -187.520
Base-Backbone interact. energy: -0.245
local terms energy: -219.414911
where:
bonds (distance) C4'-P energy: -41.892
bonds (distance) P-C4' energy: -42.678
flat angles C4'-P-C4' energy: -44.628
flat angles P-C4'-P energy: -36.032
tors. eta vs tors. theta energy: -54.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -589.835525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.835525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.835525 (E_RNA)
where:
Base-Base interactions energy: -374.653
where: short stacking energy: -154.556
Base-Backbone interact. energy: -0.371
local terms energy: -214.811892
where:
bonds (distance) C4'-P energy: -46.853
bonds (distance) P-C4' energy: -39.281
flat angles C4'-P-C4' energy: -48.989
flat angles P-C4'-P energy: -36.965
tors. eta vs tors. theta energy: -42.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -529.632141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.632141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.632141 (E_RNA)
where:
Base-Base interactions energy: -311.380
where: short stacking energy: -152.454
Base-Backbone interact. energy: -0.545
local terms energy: -217.707468
where:
bonds (distance) C4'-P energy: -44.425
bonds (distance) P-C4' energy: -51.036
flat angles C4'-P-C4' energy: -49.375
flat angles P-C4'-P energy: -30.532
tors. eta vs tors. theta energy: -42.340
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: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -389.291847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.291847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.291847 (E_RNA)
where:
Base-Base interactions energy: -219.179
where: short stacking energy: -115.664
Base-Backbone interact. energy: -0.376
local terms energy: -169.736722
where:
bonds (distance) C4'-P energy: -42.093
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -37.841
flat angles P-C4'-P energy: -23.231
tors. eta vs tors. theta energy: -25.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -461.577164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.577164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.577164 (E_RNA)
where:
Base-Base interactions energy: -272.748
where: short stacking energy: -134.389
Base-Backbone interact. energy: -0.707
local terms energy: -188.122164
where:
bonds (distance) C4'-P energy: -38.732
bonds (distance) P-C4' energy: -43.908
flat angles C4'-P-C4' energy: -45.793
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -35.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -370.450456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.450456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.450456 (E_RNA)
where:
Base-Base interactions energy: -198.916
where: short stacking energy: -114.564
Base-Backbone interact. energy: -0.561
local terms energy: -170.972536
where:
bonds (distance) C4'-P energy: -41.493
bonds (distance) P-C4' energy: -38.589
flat angles C4'-P-C4' energy: -36.097
flat angles P-C4'-P energy: -32.323
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -214.639078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.639078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.639078 (E_RNA)
where:
Base-Base interactions energy: -90.585
where: short stacking energy: -82.502
Base-Backbone interact. energy: -0.677
local terms energy: -123.377601
where:
bonds (distance) C4'-P energy: -45.955
bonds (distance) P-C4' energy: -28.447
flat angles C4'-P-C4' energy: -35.912
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: 2.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -197.510309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.510309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.510309 (E_RNA)
where:
Base-Base interactions energy: -64.628
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.291
local terms energy: -132.592013
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -34.247
flat angles C4'-P-C4' energy: -34.282
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -186.212273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.212273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.212273 (E_RNA)
where:
Base-Base interactions energy: -55.452
where: short stacking energy: -45.232
Base-Backbone interact. energy: 1.391
local terms energy: -132.151933
where:
bonds (distance) C4'-P energy: -32.136
bonds (distance) P-C4' energy: -42.695
flat angles C4'-P-C4' energy: -36.727
flat angles P-C4'-P energy: -19.835
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -674.666425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.666425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.666425 (E_RNA)
where:
Base-Base interactions energy: -436.835
where: short stacking energy: -202.265
Base-Backbone interact. energy: 0.561
local terms energy: -238.391789
where:
bonds (distance) C4'-P energy: -49.455
bonds (distance) P-C4' energy: -45.192
flat angles C4'-P-C4' energy: -51.717
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -65.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -630.884767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.884767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.884767 (E_RNA)
where:
Base-Base interactions energy: -401.868
where: short stacking energy: -182.344
Base-Backbone interact. energy: -0.509
local terms energy: -228.507811
where:
bonds (distance) C4'-P energy: -42.573
bonds (distance) P-C4' energy: -41.675
flat angles C4'-P-C4' energy: -46.291
flat angles P-C4'-P energy: -33.181
tors. eta vs tors. theta energy: -64.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -563.011928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.011928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.011928 (E_RNA)
where:
Base-Base interactions energy: -372.213
where: short stacking energy: -151.079
Base-Backbone interact. energy: 0.692
local terms energy: -191.491661
where:
bonds (distance) C4'-P energy: -50.047
bonds (distance) P-C4' energy: -39.782
flat angles C4'-P-C4' energy: -41.937
flat angles P-C4'-P energy: -21.237
tors. eta vs tors. theta energy: -38.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -521.330225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.330225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.330225 (E_RNA)
where:
Base-Base interactions energy: -331.551
where: short stacking energy: -166.039
Base-Backbone interact. energy: -0.339
local terms energy: -189.440556
where:
bonds (distance) C4'-P energy: -34.629
bonds (distance) P-C4' energy: -37.075
flat angles C4'-P-C4' energy: -40.884
flat angles P-C4'-P energy: -30.266
tors. eta vs tors. theta energy: -46.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -442.321960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.321960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.321960 (E_RNA)
where:
Base-Base interactions energy: -286.404
where: short stacking energy: -105.138
Base-Backbone interact. energy: 0.833
local terms energy: -156.751101
where:
bonds (distance) C4'-P energy: -36.338
bonds (distance) P-C4' energy: -37.196
flat angles C4'-P-C4' energy: -37.026
flat angles P-C4'-P energy: -20.801
tors. eta vs tors. theta energy: -25.389
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: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -374.732914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.732914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.732914 (E_RNA)
where:
Base-Base interactions energy: -205.892
where: short stacking energy: -121.921
Base-Backbone interact. energy: -1.309
local terms energy: -167.531871
where:
bonds (distance) C4'-P energy: -30.767
bonds (distance) P-C4' energy: -33.274
flat angles C4'-P-C4' energy: -45.768
flat angles P-C4'-P energy: -24.213
tors. eta vs tors. theta energy: -33.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -348.019557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.019557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.019557 (E_RNA)
where:
Base-Base interactions energy: -181.246
where: short stacking energy: -98.769
Base-Backbone interact. energy: -0.840
local terms energy: -165.933959
where:
bonds (distance) C4'-P energy: -42.611
bonds (distance) P-C4' energy: -41.066
flat angles C4'-P-C4' energy: -39.855
flat angles P-C4'-P energy: -20.567
tors. eta vs tors. theta energy: -21.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -215.516933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.516933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.516933 (E_RNA)
where:
Base-Base interactions energy: -77.036
where: short stacking energy: -69.561
Base-Backbone interact. energy: -0.278
local terms energy: -138.203275
where:
bonds (distance) C4'-P energy: -40.435
bonds (distance) P-C4' energy: -45.065
flat angles C4'-P-C4' energy: -36.348
flat angles P-C4'-P energy: -17.184
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: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -191.549300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.549300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.549300 (E_RNA)
where:
Base-Base interactions energy: -77.212
where: short stacking energy: -55.795
Base-Backbone interact. energy: 0.899
local terms energy: -115.236648
where:
bonds (distance) C4'-P energy: -32.795
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -22.730
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: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -206.572735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.572735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.572735 (E_RNA)
where:
Base-Base interactions energy: -69.846
where: short stacking energy: -69.594
Base-Backbone interact. energy: -0.064
local terms energy: -136.663307
where:
bonds (distance) C4'-P energy: -34.260
bonds (distance) P-C4' energy: -41.128
flat angles C4'-P-C4' energy: -36.582
flat angles P-C4'-P energy: -12.351
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: 1, replica: 5
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -674.229806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.229806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.229806 (E_RNA)
where:
Base-Base interactions energy: -446.500
where: short stacking energy: -207.360
Base-Backbone interact. energy: -1.104
local terms energy: -226.625810
where:
bonds (distance) C4'-P energy: -44.423
bonds (distance) P-C4' energy: -43.366
flat angles C4'-P-C4' energy: -48.041
flat angles P-C4'-P energy: -29.587
tors. eta vs tors. theta energy: -61.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -603.458618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.458618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.458618 (E_RNA)
where:
Base-Base interactions energy: -387.891
where: short stacking energy: -191.701
Base-Backbone interact. energy: -0.293
local terms energy: -215.274864
where:
bonds (distance) C4'-P energy: -42.189
bonds (distance) P-C4' energy: -38.315
flat angles C4'-P-C4' energy: -46.378
flat angles P-C4'-P energy: -29.341
tors. eta vs tors. theta energy: -59.053
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: 161
Temperature: 1.000000
Total energy: -581.872115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.872115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.872115 (E_RNA)
where:
Base-Base interactions energy: -380.874
where: short stacking energy: -169.894
Base-Backbone interact. energy: -0.890
local terms energy: -200.108670
where:
bonds (distance) C4'-P energy: -34.813
bonds (distance) P-C4' energy: -37.683
flat angles C4'-P-C4' energy: -45.235
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -50.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -504.467036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.467036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.467036 (E_RNA)
where:
Base-Base interactions energy: -316.087
where: short stacking energy: -155.471
Base-Backbone interact. energy: -0.392
local terms energy: -187.988082
where:
bonds (distance) C4'-P energy: -37.691
bonds (distance) P-C4' energy: -37.228
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -26.074
tors. eta vs tors. theta energy: -48.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -456.284206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.284206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.284206 (E_RNA)
where:
Base-Base interactions energy: -267.527
where: short stacking energy: -129.031
Base-Backbone interact. energy: 1.370
local terms energy: -190.127136
where:
bonds (distance) C4'-P energy: -43.601
bonds (distance) P-C4' energy: -46.430
flat angles C4'-P-C4' energy: -42.412
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -33.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -401.833950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.833950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.833950 (E_RNA)
where:
Base-Base interactions energy: -240.770
where: short stacking energy: -108.312
Base-Backbone interact. energy: -0.628
local terms energy: -160.436094
where:
bonds (distance) C4'-P energy: -41.666
bonds (distance) P-C4' energy: -31.008
flat angles C4'-P-C4' energy: -44.065
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -26.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -356.764122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.764122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.764122 (E_RNA)
where:
Base-Base interactions energy: -218.218
where: short stacking energy: -107.417
Base-Backbone interact. energy: 0.358
local terms energy: -138.904066
where:
bonds (distance) C4'-P energy: -33.969
bonds (distance) P-C4' energy: -39.484
flat angles C4'-P-C4' energy: -23.968
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -202.867958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.867958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.867958 (E_RNA)
where:
Base-Base interactions energy: -76.386
where: short stacking energy: -49.051
Base-Backbone interact. energy: -0.780
local terms energy: -125.702376
where:
bonds (distance) C4'-P energy: -33.399
bonds (distance) P-C4' energy: -46.503
flat angles C4'-P-C4' energy: -38.839
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: 6.603
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: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -192.816778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.816778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.816778 (E_RNA)
where:
Base-Base interactions energy: -68.066
where: short stacking energy: -54.694
Base-Backbone interact. energy: -1.153
local terms energy: -123.597701
where:
bonds (distance) C4'-P energy: -31.536
bonds (distance) P-C4' energy: -41.322
flat angles C4'-P-C4' energy: -37.645
flat angles P-C4'-P energy: -20.811
tors. eta vs tors. theta energy: 7.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -165.459718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.459718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.459718 (E_RNA)
where:
Base-Base interactions energy: -52.601
where: short stacking energy: -52.601
Base-Backbone interact. energy: -0.993
local terms energy: -111.866216
where:
bonds (distance) C4'-P energy: -33.982
bonds (distance) P-C4' energy: -32.733
flat angles C4'-P-C4' energy: -36.014
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: 8.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -655.365303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.365303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.365303 (E_RNA)
where:
Base-Base interactions energy: -428.198
where: short stacking energy: -202.742
Base-Backbone interact. energy: -0.823
local terms energy: -226.344053
where:
bonds (distance) C4'-P energy: -39.829
bonds (distance) P-C4' energy: -47.074
flat angles C4'-P-C4' energy: -44.759
flat angles P-C4'-P energy: -30.549
tors. eta vs tors. theta energy: -64.132
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: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -603.619046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.619046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.619046 (E_RNA)
where:
Base-Base interactions energy: -381.639
where: short stacking energy: -183.826
Base-Backbone interact. energy: 0.290
local terms energy: -222.270581
where:
bonds (distance) C4'-P energy: -37.524
bonds (distance) P-C4' energy: -46.055
flat angles C4'-P-C4' energy: -48.754
flat angles P-C4'-P energy: -35.370
tors. eta vs tors. theta energy: -54.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -568.462715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.462715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.462715 (E_RNA)
where:
Base-Base interactions energy: -369.424
where: short stacking energy: -147.738
Base-Backbone interact. energy: -1.125
local terms energy: -197.913853
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -43.549
flat angles C4'-P-C4' energy: -43.765
flat angles P-C4'-P energy: -30.171
tors. eta vs tors. theta energy: -36.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -523.851808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.851808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.851808 (E_RNA)
where:
Base-Base interactions energy: -330.263
where: short stacking energy: -166.549
Base-Backbone interact. energy: -0.486
local terms energy: -193.102815
where:
bonds (distance) C4'-P energy: -43.055
bonds (distance) P-C4' energy: -42.570
flat angles C4'-P-C4' energy: -41.296
flat angles P-C4'-P energy: -23.422
tors. eta vs tors. theta energy: -42.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -498.674900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.674900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.674900 (E_RNA)
where:
Base-Base interactions energy: -314.154
where: short stacking energy: -133.175
Base-Backbone interact. energy: 0.177
local terms energy: -184.697565
where:
bonds (distance) C4'-P energy: -40.070
bonds (distance) P-C4' energy: -37.835
flat angles C4'-P-C4' energy: -43.567
flat angles P-C4'-P energy: -23.377
tors. eta vs tors. theta energy: -39.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -412.921131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.921131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.921131 (E_RNA)
where:
Base-Base interactions energy: -245.445
where: short stacking energy: -115.454
Base-Backbone interact. energy: 0.793
local terms energy: -168.269310
where:
bonds (distance) C4'-P energy: -44.540
bonds (distance) P-C4' energy: -40.505
flat angles C4'-P-C4' energy: -33.487
flat angles P-C4'-P energy: -25.552
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -347.030937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.030937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.030937 (E_RNA)
where:
Base-Base interactions energy: -183.195
where: short stacking energy: -101.166
Base-Backbone interact. energy: 1.896
local terms energy: -165.731684
where:
bonds (distance) C4'-P energy: -34.997
bonds (distance) P-C4' energy: -41.333
flat angles C4'-P-C4' energy: -45.491
flat angles P-C4'-P energy: -25.753
tors. eta vs tors. theta energy: -18.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -216.627265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.627265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.627265 (E_RNA)
where:
Base-Base interactions energy: -82.633
where: short stacking energy: -67.174
Base-Backbone interact. energy: 1.739
local terms energy: -135.732929
where:
bonds (distance) C4'-P energy: -31.759
bonds (distance) P-C4' energy: -44.479
flat angles C4'-P-C4' energy: -39.334
flat angles P-C4'-P energy: -19.894
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -193.078380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.078380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.078380 (E_RNA)
where:
Base-Base interactions energy: -52.512
where: short stacking energy: -47.578
Base-Backbone interact. energy: -1.210
local terms energy: -139.356360
where:
bonds (distance) C4'-P energy: -45.850
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -36.502
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: 5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -209.674574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.674574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.674574 (E_RNA)
where:
Base-Base interactions energy: -81.202
where: short stacking energy: -39.045
Base-Backbone interact. energy: -1.348
local terms energy: -127.124514
where:
bonds (distance) C4'-P energy: -40.016
bonds (distance) P-C4' energy: -36.363
flat angles C4'-P-C4' energy: -38.846
flat angles P-C4'-P energy: -23.494
tors. eta vs tors. theta energy: 11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -662.216650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.216650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.216650 (E_RNA)
where:
Base-Base interactions energy: -431.579
where: short stacking energy: -208.766
Base-Backbone interact. energy: -0.493
local terms energy: -230.144681
where:
bonds (distance) C4'-P energy: -41.158
bonds (distance) P-C4' energy: -40.098
flat angles C4'-P-C4' energy: -49.776
flat angles P-C4'-P energy: -29.395
tors. eta vs tors. theta energy: -69.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -599.424361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.424361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.424361 (E_RNA)
where:
Base-Base interactions energy: -392.163
where: short stacking energy: -173.465
Base-Backbone interact. energy: -0.311
local terms energy: -206.950412
where:
bonds (distance) C4'-P energy: -39.074
bonds (distance) P-C4' energy: -36.034
flat angles C4'-P-C4' energy: -46.403
flat angles P-C4'-P energy: -35.422
tors. eta vs tors. theta energy: -50.018
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: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -589.402363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.402363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.402363 (E_RNA)
where:
Base-Base interactions energy: -380.768
where: short stacking energy: -191.617
Base-Backbone interact. energy: -0.446
local terms energy: -208.189212
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -44.212
flat angles C4'-P-C4' energy: -42.330
flat angles P-C4'-P energy: -33.479
tors. eta vs tors. theta energy: -52.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -538.415293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.415293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.415293 (E_RNA)
where:
Base-Base interactions energy: -345.556
where: short stacking energy: -178.800
Base-Backbone interact. energy: -0.429
local terms energy: -192.430290
where:
bonds (distance) C4'-P energy: -34.189
bonds (distance) P-C4' energy: -40.649
flat angles C4'-P-C4' energy: -40.780
flat angles P-C4'-P energy: -24.714
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: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -493.563599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.563599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.563599 (E_RNA)
where:
Base-Base interactions energy: -314.715
where: short stacking energy: -140.424
Base-Backbone interact. energy: -0.487
local terms energy: -178.361773
where:
bonds (distance) C4'-P energy: -38.433
bonds (distance) P-C4' energy: -37.234
flat angles C4'-P-C4' energy: -36.147
flat angles P-C4'-P energy: -29.881
tors. eta vs tors. theta energy: -36.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -405.092130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.092130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.092130 (E_RNA)
where:
Base-Base interactions energy: -238.194
where: short stacking energy: -139.271
Base-Backbone interact. energy: -0.113
local terms energy: -166.785434
where:
bonds (distance) C4'-P energy: -38.918
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -40.856
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -32.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -329.454555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.454555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.454555 (E_RNA)
where:
Base-Base interactions energy: -176.793
where: short stacking energy: -88.433
Base-Backbone interact. energy: -0.715
local terms energy: -151.946372
where:
bonds (distance) C4'-P energy: -38.778
bonds (distance) P-C4' energy: -43.580
flat angles C4'-P-C4' energy: -30.016
flat angles P-C4'-P energy: -25.442
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -197.140830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.140830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.140830 (E_RNA)
where:
Base-Base interactions energy: -71.398
where: short stacking energy: -60.799
Base-Backbone interact. energy: -0.527
local terms energy: -125.216380
where:
bonds (distance) C4'-P energy: -35.165
bonds (distance) P-C4' energy: -30.332
flat angles C4'-P-C4' energy: -35.685
flat angles P-C4'-P energy: -21.207
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: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -187.884745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.884745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.884745 (E_RNA)
where:
Base-Base interactions energy: -58.969
where: short stacking energy: -44.941
Base-Backbone interact. energy: -1.471
local terms energy: -127.445734
where:
bonds (distance) C4'-P energy: -35.998
bonds (distance) P-C4' energy: -42.993
flat angles C4'-P-C4' energy: -34.457
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: 6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -186.412573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.412573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.412573 (E_RNA)
where:
Base-Base interactions energy: -79.315
where: short stacking energy: -62.121
Base-Backbone interact. energy: -1.495
local terms energy: -105.601684
where:
bonds (distance) C4'-P energy: -27.589
bonds (distance) P-C4' energy: -35.223
flat angles C4'-P-C4' energy: -33.998
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: 1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -663.919562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.919562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.919562 (E_RNA)
where:
Base-Base interactions energy: -426.224
where: short stacking energy: -202.965
Base-Backbone interact. energy: -0.300
local terms energy: -237.395523
where:
bonds (distance) C4'-P energy: -39.032
bonds (distance) P-C4' energy: -48.183
flat angles C4'-P-C4' energy: -51.313
flat angles P-C4'-P energy: -33.482
tors. eta vs tors. theta energy: -65.385
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: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -601.880881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.880881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.880881 (E_RNA)
where:
Base-Base interactions energy: -394.209
where: short stacking energy: -177.266
Base-Backbone interact. energy: -1.048
local terms energy: -206.623915
where:
bonds (distance) C4'-P energy: -42.388
bonds (distance) P-C4' energy: -45.065
flat angles C4'-P-C4' energy: -40.476
flat angles P-C4'-P energy: -34.321
tors. eta vs tors. theta energy: -44.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -564.983148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.983148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.983148 (E_RNA)
where:
Base-Base interactions energy: -360.893
where: short stacking energy: -177.166
Base-Backbone interact. energy: -0.303
local terms energy: -203.786872
where:
bonds (distance) C4'-P energy: -38.789
bonds (distance) P-C4' energy: -46.404
flat angles C4'-P-C4' energy: -36.660
flat angles P-C4'-P energy: -33.228
tors. eta vs tors. theta energy: -48.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -505.799672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.799672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.799672 (E_RNA)
where:
Base-Base interactions energy: -328.720
where: short stacking energy: -158.725
Base-Backbone interact. energy: -0.104
local terms energy: -176.975310
where:
bonds (distance) C4'-P energy: -35.774
bonds (distance) P-C4' energy: -34.398
flat angles C4'-P-C4' energy: -40.584
flat angles P-C4'-P energy: -26.616
tors. eta vs tors. theta energy: -39.602
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: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -483.445006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.445006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.445006 (E_RNA)
where:
Base-Base interactions energy: -307.183
where: short stacking energy: -155.877
Base-Backbone interact. energy: 0.024
local terms energy: -176.286141
where:
bonds (distance) C4'-P energy: -35.257
bonds (distance) P-C4' energy: -39.543
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -20.815
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: 6, replica: 6
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -379.572679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.572679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.572679 (E_RNA)
where:
Base-Base interactions energy: -211.256
where: short stacking energy: -102.484
Base-Backbone interact. energy: -0.499
local terms energy: -167.817983
where:
bonds (distance) C4'-P energy: -42.411
bonds (distance) P-C4' energy: -37.503
flat angles C4'-P-C4' energy: -37.589
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -27.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -285.314896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.314896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.314896 (E_RNA)
where:
Base-Base interactions energy: -153.367
where: short stacking energy: -75.719
Base-Backbone interact. energy: 1.203
local terms energy: -133.150570
where:
bonds (distance) C4'-P energy: -35.213
bonds (distance) P-C4' energy: -38.159
flat angles C4'-P-C4' energy: -35.468
flat angles P-C4'-P energy: -25.532
tors. eta vs tors. theta energy: 1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -196.997946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.997946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.997946 (E_RNA)
where:
Base-Base interactions energy: -49.665
where: short stacking energy: -47.500
Base-Backbone interact. energy: -1.537
local terms energy: -145.795800
where:
bonds (distance) C4'-P energy: -35.518
bonds (distance) P-C4' energy: -48.123
flat angles C4'-P-C4' energy: -31.786
flat angles P-C4'-P energy: -28.802
tors. eta vs tors. theta energy: -1.567
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: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -209.332058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.332058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.332058 (E_RNA)
where:
Base-Base interactions energy: -93.157
where: short stacking energy: -67.532
Base-Backbone interact. energy: 0.641
local terms energy: -116.816305
where:
bonds (distance) C4'-P energy: -35.766
bonds (distance) P-C4' energy: -29.185
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -20.133
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -170.434287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.434287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.434287 (E_RNA)
where:
Base-Base interactions energy: -43.008
where: short stacking energy: -43.008
Base-Backbone interact. energy: -0.303
local terms energy: -127.123431
where:
bonds (distance) C4'-P energy: -47.195
bonds (distance) P-C4' energy: -44.652
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: 6.175
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: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -656.339073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.339073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.339073 (E_RNA)
where:
Base-Base interactions energy: -430.527
where: short stacking energy: -214.684
Base-Backbone interact. energy: -0.204
local terms energy: -225.608528
where:
bonds (distance) C4'-P energy: -42.865
bonds (distance) P-C4' energy: -37.831
flat angles C4'-P-C4' energy: -48.880
flat angles P-C4'-P energy: -32.437
tors. eta vs tors. theta energy: -63.595
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: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -606.329949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.329949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.329949 (E_RNA)
where:
Base-Base interactions energy: -391.482
where: short stacking energy: -171.980
Base-Backbone interact. energy: -0.731
local terms energy: -214.117141
where:
bonds (distance) C4'-P energy: -41.815
bonds (distance) P-C4' energy: -43.867
flat angles C4'-P-C4' energy: -49.389
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -44.450
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: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -550.771140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.771140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.771140 (E_RNA)
where:
Base-Base interactions energy: -361.833
where: short stacking energy: -175.479
Base-Backbone interact. energy: 0.226
local terms energy: -189.164824
where:
bonds (distance) C4'-P energy: -40.166
bonds (distance) P-C4' energy: -45.179
flat angles C4'-P-C4' energy: -34.062
flat angles P-C4'-P energy: -27.346
tors. eta vs tors. theta energy: -42.412
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: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -513.804595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.804595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.804595 (E_RNA)
where:
Base-Base interactions energy: -312.349
where: short stacking energy: -153.227
Base-Backbone interact. energy: -0.313
local terms energy: -201.142757
where:
bonds (distance) C4'-P energy: -44.024
bonds (distance) P-C4' energy: -42.765
flat angles C4'-P-C4' energy: -42.384
flat angles P-C4'-P energy: -23.650
tors. eta vs tors. theta energy: -48.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -495.555367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.555367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.555367 (E_RNA)
where:
Base-Base interactions energy: -307.420
where: short stacking energy: -152.880
Base-Backbone interact. energy: 1.377
local terms energy: -189.512553
where:
bonds (distance) C4'-P energy: -43.299
bonds (distance) P-C4' energy: -42.943
flat angles C4'-P-C4' energy: -33.934
flat angles P-C4'-P energy: -29.885
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: 165
Temperature: 1.150000
Total energy: -332.558717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.558717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.558717 (E_RNA)
where:
Base-Base interactions energy: -174.777
where: short stacking energy: -97.749
Base-Backbone interact. energy: -0.384
local terms energy: -157.398065
where:
bonds (distance) C4'-P energy: -36.347
bonds (distance) P-C4' energy: -40.403
flat angles C4'-P-C4' energy: -45.146
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -377.447196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.447196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.447196 (E_RNA)
where:
Base-Base interactions energy: -217.247
where: short stacking energy: -116.581
Base-Backbone interact. energy: -1.098
local terms energy: -159.102052
where:
bonds (distance) C4'-P energy: -35.676
bonds (distance) P-C4' energy: -38.733
flat angles C4'-P-C4' energy: -33.422
flat angles P-C4'-P energy: -25.405
tors. eta vs tors. theta energy: -25.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -225.357954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.357954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.357954 (E_RNA)
where:
Base-Base interactions energy: -95.885
where: short stacking energy: -85.483
Base-Backbone interact. energy: -0.188
local terms energy: -129.284411
where:
bonds (distance) C4'-P energy: -33.292
bonds (distance) P-C4' energy: -38.515
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -26.463
tors. eta vs tors. theta energy: -5.558
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: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -209.590683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.590683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.590683 (E_RNA)
where:
Base-Base interactions energy: -92.542
where: short stacking energy: -85.493
Base-Backbone interact. energy: 0.505
local terms energy: -117.554007
where:
bonds (distance) C4'-P energy: -34.351
bonds (distance) P-C4' energy: -35.422
flat angles C4'-P-C4' energy: -26.359
flat angles P-C4'-P energy: -17.485
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -186.791157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.791157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.791157 (E_RNA)
where:
Base-Base interactions energy: -49.582
where: short stacking energy: -50.879
Base-Backbone interact. energy: -0.818
local terms energy: -136.390916
where:
bonds (distance) C4'-P energy: -41.606
bonds (distance) P-C4' energy: -32.260
flat angles C4'-P-C4' energy: -39.258
flat angles P-C4'-P energy: -24.787
tors. eta vs tors. theta energy: 1.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -663.823337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.823337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.823337 (E_RNA)
where:
Base-Base interactions energy: -422.967
where: short stacking energy: -197.738
Base-Backbone interact. energy: -0.764
local terms energy: -240.092585
where:
bonds (distance) C4'-P energy: -40.443
bonds (distance) P-C4' energy: -44.633
flat angles C4'-P-C4' energy: -48.247
flat angles P-C4'-P energy: -39.645
tors. eta vs tors. theta energy: -67.125
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: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -589.482033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.482033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.482033 (E_RNA)
where:
Base-Base interactions energy: -383.655
where: short stacking energy: -184.083
Base-Backbone interact. energy: -1.400
local terms energy: -204.427582
where:
bonds (distance) C4'-P energy: -38.606
bonds (distance) P-C4' energy: -38.144
flat angles C4'-P-C4' energy: -43.860
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: -53.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -560.364617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.364617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.364617 (E_RNA)
where:
Base-Base interactions energy: -361.848
where: short stacking energy: -175.604
Base-Backbone interact. energy: -0.538
local terms energy: -197.978801
where:
bonds (distance) C4'-P energy: -33.818
bonds (distance) P-C4' energy: -45.252
flat angles C4'-P-C4' energy: -45.776
flat angles P-C4'-P energy: -24.499
tors. eta vs tors. theta energy: -48.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -538.614955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.614955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.614955 (E_RNA)
where:
Base-Base interactions energy: -338.881
where: short stacking energy: -147.821
Base-Backbone interact. energy: -2.142
local terms energy: -197.591773
where:
bonds (distance) C4'-P energy: -40.696
bonds (distance) P-C4' energy: -45.627
flat angles C4'-P-C4' energy: -44.758
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -40.722
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: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -500.205156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.205156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.205156 (E_RNA)
where:
Base-Base interactions energy: -312.231
where: short stacking energy: -162.491
Base-Backbone interact. energy: -0.071
local terms energy: -187.903622
where:
bonds (distance) C4'-P energy: -42.419
bonds (distance) P-C4' energy: -37.635
flat angles C4'-P-C4' energy: -42.885
flat angles P-C4'-P energy: -22.759
tors. eta vs tors. theta energy: -42.206
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: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -317.734502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.734502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.734502 (E_RNA)
where:
Base-Base interactions energy: -167.375
where: short stacking energy: -80.932
Base-Backbone interact. energy: -1.590
local terms energy: -148.769803
where:
bonds (distance) C4'-P energy: -41.701
bonds (distance) P-C4' energy: -45.193
flat angles C4'-P-C4' energy: -32.394
flat angles P-C4'-P energy: -24.718
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -290.336604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.336604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.336604 (E_RNA)
where:
Base-Base interactions energy: -153.138
where: short stacking energy: -98.397
Base-Backbone interact. energy: -0.550
local terms energy: -136.648372
where:
bonds (distance) C4'-P energy: -30.936
bonds (distance) P-C4' energy: -42.611
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -23.036
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: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -214.510912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.510912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.510912 (E_RNA)
where:
Base-Base interactions energy: -75.540
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.496
local terms energy: -138.474439
where:
bonds (distance) C4'-P energy: -34.016
bonds (distance) P-C4' energy: -39.147
flat angles C4'-P-C4' energy: -36.256
flat angles P-C4'-P energy: -22.183
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: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -206.706615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.706615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.706615 (E_RNA)
where:
Base-Base interactions energy: -94.418
where: short stacking energy: -64.391
Base-Backbone interact. energy: -1.371
local terms energy: -110.917426
where:
bonds (distance) C4'-P energy: -36.463
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -3.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -192.425475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.425475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.425475 (E_RNA)
where:
Base-Base interactions energy: -77.393
where: short stacking energy: -51.097
Base-Backbone interact. energy: 1.856
local terms energy: -116.888413
where:
bonds (distance) C4'-P energy: -36.093
bonds (distance) P-C4' energy: -37.511
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -662.532932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.532932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.532932 (E_RNA)
where:
Base-Base interactions energy: -436.196
where: short stacking energy: -209.782
Base-Backbone interact. energy: -0.068
local terms energy: -226.269071
where:
bonds (distance) C4'-P energy: -38.679
bonds (distance) P-C4' energy: -38.918
flat angles C4'-P-C4' energy: -48.257
flat angles P-C4'-P energy: -32.814
tors. eta vs tors. theta energy: -67.602
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: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -602.248761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.248761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.248761 (E_RNA)
where:
Base-Base interactions energy: -399.545
where: short stacking energy: -174.607
Base-Backbone interact. energy: -0.598
local terms energy: -202.105808
where:
bonds (distance) C4'-P energy: -43.394
bonds (distance) P-C4' energy: -47.905
flat angles C4'-P-C4' energy: -36.516
flat angles P-C4'-P energy: -30.618
tors. eta vs tors. theta energy: -43.673
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: 167
Temperature: 1.000000
Total energy: -564.853872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.853872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.853872 (E_RNA)
where:
Base-Base interactions energy: -364.298
where: short stacking energy: -174.571
Base-Backbone interact. energy: 0.734
local terms energy: -201.289993
where:
bonds (distance) C4'-P energy: -42.232
bonds (distance) P-C4' energy: -44.330
flat angles C4'-P-C4' energy: -40.646
flat angles P-C4'-P energy: -27.727
tors. eta vs tors. theta energy: -46.355
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: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -567.933618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.933618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.933618 (E_RNA)
where:
Base-Base interactions energy: -385.132
where: short stacking energy: -170.552
Base-Backbone interact. energy: 0.728
local terms energy: -183.529587
where:
bonds (distance) C4'-P energy: -36.044
bonds (distance) P-C4' energy: -43.215
flat angles C4'-P-C4' energy: -39.462
flat angles P-C4'-P energy: -21.356
tors. eta vs tors. theta energy: -43.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -491.522450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.522450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.522450 (E_RNA)
where:
Base-Base interactions energy: -295.189
where: short stacking energy: -146.175
Base-Backbone interact. energy: -0.618
local terms energy: -195.715536
where:
bonds (distance) C4'-P energy: -36.868
bonds (distance) P-C4' energy: -42.227
flat angles C4'-P-C4' energy: -44.378
flat angles P-C4'-P energy: -33.132
tors. eta vs tors. theta energy: -39.110
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: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -316.457415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.457415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.457415 (E_RNA)
where:
Base-Base interactions energy: -141.661
where: short stacking energy: -84.705
Base-Backbone interact. energy: -0.242
local terms energy: -174.554997
where:
bonds (distance) C4'-P energy: -48.651
bonds (distance) P-C4' energy: -44.149
flat angles C4'-P-C4' energy: -36.156
flat angles P-C4'-P energy: -28.497
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -300.277313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.277313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.277313 (E_RNA)
where:
Base-Base interactions energy: -149.333
where: short stacking energy: -79.700
Base-Backbone interact. energy: -0.700
local terms energy: -150.244193
where:
bonds (distance) C4'-P energy: -35.971
bonds (distance) P-C4' energy: -38.386
flat angles C4'-P-C4' energy: -36.526
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -234.951937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.951937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.951937 (E_RNA)
where:
Base-Base interactions energy: -91.685
where: short stacking energy: -76.289
Base-Backbone interact. energy: 0.088
local terms energy: -143.355765
where:
bonds (distance) C4'-P energy: -33.114
bonds (distance) P-C4' energy: -39.580
flat angles C4'-P-C4' energy: -36.482
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -17.090
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: 167
Temperature: 1.300000
Total energy: -198.028681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.028681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.028681 (E_RNA)
where:
Base-Base interactions energy: -67.048
where: short stacking energy: -56.983
Base-Backbone interact. energy: -0.318
local terms energy: -130.662325
where:
bonds (distance) C4'-P energy: -36.322
bonds (distance) P-C4' energy: -32.662
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -26.781
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -192.780364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.780364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.780364 (E_RNA)
where:
Base-Base interactions energy: -51.332
where: short stacking energy: -44.896
Base-Backbone interact. energy: -1.422
local terms energy: -140.026115
where:
bonds (distance) C4'-P energy: -32.836
bonds (distance) P-C4' energy: -44.986
flat angles C4'-P-C4' energy: -35.462
flat angles P-C4'-P energy: -23.665
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: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -666.137537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.137537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.137537 (E_RNA)
where:
Base-Base interactions energy: -451.655
where: short stacking energy: -214.020
Base-Backbone interact. energy: 1.502
local terms energy: -215.984935
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -44.448
flat angles C4'-P-C4' energy: -45.727
flat angles P-C4'-P energy: -31.426
tors. eta vs tors. theta energy: -59.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -604.891241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.891241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.891241 (E_RNA)
where:
Base-Base interactions energy: -399.401
where: short stacking energy: -175.349
Base-Backbone interact. energy: 1.555
local terms energy: -207.045671
where:
bonds (distance) C4'-P energy: -35.726
bonds (distance) P-C4' energy: -47.996
flat angles C4'-P-C4' energy: -45.939
flat angles P-C4'-P energy: -31.193
tors. eta vs tors. theta energy: -46.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -550.971516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.971516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.971516 (E_RNA)
where:
Base-Base interactions energy: -351.564
where: short stacking energy: -166.186
Base-Backbone interact. energy: -0.936
local terms energy: -198.471380
where:
bonds (distance) C4'-P energy: -34.420
bonds (distance) P-C4' energy: -47.521
flat angles C4'-P-C4' energy: -41.440
flat angles P-C4'-P energy: -32.771
tors. eta vs tors. theta energy: -42.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -567.851407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.851407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.851407 (E_RNA)
where:
Base-Base interactions energy: -361.307
where: short stacking energy: -174.605
Base-Backbone interact. energy: -0.204
local terms energy: -206.340116
where:
bonds (distance) C4'-P energy: -41.063
bonds (distance) P-C4' energy: -45.532
flat angles C4'-P-C4' energy: -42.117
flat angles P-C4'-P energy: -30.966
tors. eta vs tors. theta energy: -46.663
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: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -497.802495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.802495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.802495 (E_RNA)
where:
Base-Base interactions energy: -309.582
where: short stacking energy: -150.585
Base-Backbone interact. energy: -0.541
local terms energy: -187.679255
where:
bonds (distance) C4'-P energy: -38.561
bonds (distance) P-C4' energy: -40.001
flat angles C4'-P-C4' energy: -42.347
flat angles P-C4'-P energy: -27.595
tors. eta vs tors. theta energy: -39.176
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: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -351.216528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.216528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.216528 (E_RNA)
where:
Base-Base interactions energy: -188.751
where: short stacking energy: -101.680
Base-Backbone interact. energy: -0.507
local terms energy: -161.958100
where:
bonds (distance) C4'-P energy: -42.319
bonds (distance) P-C4' energy: -39.442
flat angles C4'-P-C4' energy: -35.753
flat angles P-C4'-P energy: -22.243
tors. eta vs tors. theta energy: -22.201
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: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -302.561202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.561202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.561202 (E_RNA)
where:
Base-Base interactions energy: -164.097
where: short stacking energy: -100.065
Base-Backbone interact. energy: -0.248
local terms energy: -138.216167
where:
bonds (distance) C4'-P energy: -33.183
bonds (distance) P-C4' energy: -33.924
flat angles C4'-P-C4' energy: -34.416
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -232.008683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.008683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.008683 (E_RNA)
where:
Base-Base interactions energy: -90.055
where: short stacking energy: -80.271
Base-Backbone interact. energy: -0.350
local terms energy: -141.603140
where:
bonds (distance) C4'-P energy: -42.460
bonds (distance) P-C4' energy: -38.368
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -199.117033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.117033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.117033 (E_RNA)
where:
Base-Base interactions energy: -63.600
where: short stacking energy: -58.047
Base-Backbone interact. energy: -1.951
local terms energy: -133.565450
where:
bonds (distance) C4'-P energy: -43.700
bonds (distance) P-C4' energy: -42.009
flat angles C4'-P-C4' energy: -28.799
flat angles P-C4'-P energy: -22.977
tors. eta vs tors. theta energy: 3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -177.365899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.365899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.365899 (E_RNA)
where:
Base-Base interactions energy: -49.213
where: short stacking energy: -44.778
Base-Backbone interact. energy: -0.317
local terms energy: -127.835458
where:
bonds (distance) C4'-P energy: -42.762
bonds (distance) P-C4' energy: -38.475
flat angles C4'-P-C4' energy: -28.505
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -666.772414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.772414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.772414 (E_RNA)
where:
Base-Base interactions energy: -440.012
where: short stacking energy: -205.733
Base-Backbone interact. energy: -0.562
local terms energy: -226.198577
where:
bonds (distance) C4'-P energy: -40.844
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -50.156
flat angles P-C4'-P energy: -31.747
tors. eta vs tors. theta energy: -61.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -595.787419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.787419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.787419 (E_RNA)
where:
Base-Base interactions energy: -387.007
where: short stacking energy: -178.692
Base-Backbone interact. energy: 1.598
local terms energy: -210.378740
where:
bonds (distance) C4'-P energy: -39.996
bonds (distance) P-C4' energy: -44.745
flat angles C4'-P-C4' energy: -47.567
flat angles P-C4'-P energy: -30.931
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: 3, replica: 3
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -551.066077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.066077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.066077 (E_RNA)
where:
Base-Base interactions energy: -355.322
where: short stacking energy: -160.419
Base-Backbone interact. energy: -1.875
local terms energy: -193.869240
where:
bonds (distance) C4'-P energy: -36.091
bonds (distance) P-C4' energy: -41.373
flat angles C4'-P-C4' energy: -48.340
flat angles P-C4'-P energy: -28.255
tors. eta vs tors. theta energy: -39.810
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: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -540.992531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.992531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.992531 (E_RNA)
where:
Base-Base interactions energy: -345.622
where: short stacking energy: -169.865
Base-Backbone interact. energy: -0.391
local terms energy: -194.979920
where:
bonds (distance) C4'-P energy: -32.864
bonds (distance) P-C4' energy: -43.695
flat angles C4'-P-C4' energy: -42.389
flat angles P-C4'-P energy: -27.324
tors. eta vs tors. theta energy: -48.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -504.407169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.407169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.407169 (E_RNA)
where:
Base-Base interactions energy: -322.577
where: short stacking energy: -154.877
Base-Backbone interact. energy: 2.254
local terms energy: -184.083686
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -39.642
flat angles C4'-P-C4' energy: -47.819
flat angles P-C4'-P energy: -28.907
tors. eta vs tors. theta energy: -47.113
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: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -351.061795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.061795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.061795 (E_RNA)
where:
Base-Base interactions energy: -185.036
where: short stacking energy: -109.787
Base-Backbone interact. energy: -1.238
local terms energy: -164.787607
where:
bonds (distance) C4'-P energy: -42.510
bonds (distance) P-C4' energy: -39.506
flat angles C4'-P-C4' energy: -39.290
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -22.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -262.457017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.457017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.457017 (E_RNA)
where:
Base-Base interactions energy: -124.618
where: short stacking energy: -76.211
Base-Backbone interact. energy: -1.052
local terms energy: -136.787175
where:
bonds (distance) C4'-P energy: -35.393
bonds (distance) P-C4' energy: -34.371
flat angles C4'-P-C4' energy: -38.420
flat angles P-C4'-P energy: -17.814
tors. eta vs tors. theta energy: -10.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -235.845856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.845856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.845856 (E_RNA)
where:
Base-Base interactions energy: -90.222
where: short stacking energy: -81.347
Base-Backbone interact. energy: -0.972
local terms energy: -144.651699
where:
bonds (distance) C4'-P energy: -41.356
bonds (distance) P-C4' energy: -31.587
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -24.695
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -207.095405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.095405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.095405 (E_RNA)
where:
Base-Base interactions energy: -87.171
where: short stacking energy: -64.925
Base-Backbone interact. energy: 2.242
local terms energy: -122.166670
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -42.786
flat angles C4'-P-C4' energy: -26.740
flat angles P-C4'-P energy: -23.176
tors. eta vs tors. theta energy: -7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -191.507591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.507591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.507591 (E_RNA)
where:
Base-Base interactions energy: -61.471
where: short stacking energy: -55.541
Base-Backbone interact. energy: 0.566
local terms energy: -130.602490
where:
bonds (distance) C4'-P energy: -33.165
bonds (distance) P-C4' energy: -38.886
flat angles C4'-P-C4' energy: -39.521
flat angles P-C4'-P energy: -25.077
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: 1, replica: 5
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -654.735024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.735024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.735024 (E_RNA)
where:
Base-Base interactions energy: -441.062
where: short stacking energy: -198.157
Base-Backbone interact. energy: -0.239
local terms energy: -213.433822
where:
bonds (distance) C4'-P energy: -45.670
bonds (distance) P-C4' energy: -37.902
flat angles C4'-P-C4' energy: -40.875
flat angles P-C4'-P energy: -31.637
tors. eta vs tors. theta energy: -57.350
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: 8
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -614.354826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.354826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.354826 (E_RNA)
where:
Base-Base interactions energy: -400.906
where: short stacking energy: -182.211
Base-Backbone interact. energy: -0.085
local terms energy: -213.363765
where:
bonds (distance) C4'-P energy: -46.801
bonds (distance) P-C4' energy: -44.146
flat angles C4'-P-C4' energy: -43.299
flat angles P-C4'-P energy: -28.295
tors. eta vs tors. theta energy: -50.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -572.551086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.551086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.551086 (E_RNA)
where:
Base-Base interactions energy: -359.858
where: short stacking energy: -164.205
Base-Backbone interact. energy: 0.059
local terms energy: -212.751800
where:
bonds (distance) C4'-P energy: -49.171
bonds (distance) P-C4' energy: -33.133
flat angles C4'-P-C4' energy: -45.706
flat angles P-C4'-P energy: -34.152
tors. eta vs tors. theta energy: -50.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -537.045501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.045501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.045501 (E_RNA)
where:
Base-Base interactions energy: -354.488
where: short stacking energy: -161.446
Base-Backbone interact. energy: 0.047
local terms energy: -182.604686
where:
bonds (distance) C4'-P energy: -41.091
bonds (distance) P-C4' energy: -37.625
flat angles C4'-P-C4' energy: -43.763
flat angles P-C4'-P energy: -20.707
tors. eta vs tors. theta energy: -39.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -503.740527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.740527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.740527 (E_RNA)
where:
Base-Base interactions energy: -302.542
where: short stacking energy: -145.368
Base-Backbone interact. energy: -0.249
local terms energy: -200.950307
where:
bonds (distance) C4'-P energy: -40.292
bonds (distance) P-C4' energy: -48.280
flat angles C4'-P-C4' energy: -43.333
flat angles P-C4'-P energy: -30.399
tors. eta vs tors. theta energy: -38.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -354.025051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.025051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.025051 (E_RNA)
where:
Base-Base interactions energy: -188.460
where: short stacking energy: -125.857
Base-Backbone interact. energy: -0.740
local terms energy: -164.825715
where:
bonds (distance) C4'-P energy: -37.803
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -37.051
flat angles P-C4'-P energy: -26.935
tors. eta vs tors. theta energy: -27.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -261.715319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.715319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.715319 (E_RNA)
where:
Base-Base interactions energy: -130.144
where: short stacking energy: -105.063
Base-Backbone interact. energy: -0.465
local terms energy: -131.106096
where:
bonds (distance) C4'-P energy: -27.989
bonds (distance) P-C4' energy: -32.328
flat angles C4'-P-C4' energy: -38.171
flat angles P-C4'-P energy: -20.531
tors. eta vs tors. theta energy: -12.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -199.663839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.663839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.663839 (E_RNA)
where:
Base-Base interactions energy: -68.912
where: short stacking energy: -65.128
Base-Backbone interact. energy: -1.344
local terms energy: -129.407500
where:
bonds (distance) C4'-P energy: -25.240
bonds (distance) P-C4' energy: -37.612
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -18.535
tors. eta vs tors. theta energy: -10.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -200.544586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.544586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.544586 (E_RNA)
where:
Base-Base interactions energy: -61.351
where: short stacking energy: -54.032
Base-Backbone interact. energy: -0.754
local terms energy: -138.439127
where:
bonds (distance) C4'-P energy: -37.535
bonds (distance) P-C4' energy: -39.539
flat angles C4'-P-C4' energy: -37.105
flat angles P-C4'-P energy: -22.675
tors. eta vs tors. theta energy: -1.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -187.189212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.189212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.189212 (E_RNA)
where:
Base-Base interactions energy: -66.666
where: short stacking energy: -54.365
Base-Backbone interact. energy: -0.418
local terms energy: -120.104587
where:
bonds (distance) C4'-P energy: -25.391
bonds (distance) P-C4' energy: -43.586
flat angles C4'-P-C4' energy: -33.185
flat angles P-C4'-P energy: -23.992
tors. eta vs tors. theta energy: 6.049
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: 5
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -667.825881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.825881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.825881 (E_RNA)
where:
Base-Base interactions energy: -436.232
where: short stacking energy: -195.091
Base-Backbone interact. energy: -0.012
local terms energy: -231.582214
where:
bonds (distance) C4'-P energy: -45.319
bonds (distance) P-C4' energy: -44.509
flat angles C4'-P-C4' energy: -43.864
flat angles P-C4'-P energy: -35.553
tors. eta vs tors. theta energy: -62.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -595.980350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.980350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.980350 (E_RNA)
where:
Base-Base interactions energy: -390.999
where: short stacking energy: -172.632
Base-Backbone interact. energy: -0.041
local terms energy: -204.941083
where:
bonds (distance) C4'-P energy: -35.536
bonds (distance) P-C4' energy: -43.913
flat angles C4'-P-C4' energy: -45.765
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -45.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -581.250473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.250473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.250473 (E_RNA)
where:
Base-Base interactions energy: -369.051
where: short stacking energy: -180.558
Base-Backbone interact. energy: -0.811
local terms energy: -211.388092
where:
bonds (distance) C4'-P energy: -41.952
bonds (distance) P-C4' energy: -37.833
flat angles C4'-P-C4' energy: -39.299
flat angles P-C4'-P energy: -38.048
tors. eta vs tors. theta energy: -54.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -530.403217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.403217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.403217 (E_RNA)
where:
Base-Base interactions energy: -335.299
where: short stacking energy: -175.715
Base-Backbone interact. energy: 2.153
local terms energy: -197.257499
where:
bonds (distance) C4'-P energy: -33.406
bonds (distance) P-C4' energy: -48.279
flat angles C4'-P-C4' energy: -49.339
flat angles P-C4'-P energy: -20.958
tors. eta vs tors. theta energy: -45.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -512.991959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.991959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.991959 (E_RNA)
where:
Base-Base interactions energy: -317.014
where: short stacking energy: -141.556
Base-Backbone interact. energy: 0.134
local terms energy: -196.112814
where:
bonds (distance) C4'-P energy: -40.306
bonds (distance) P-C4' energy: -42.379
flat angles C4'-P-C4' energy: -36.255
flat angles P-C4'-P energy: -35.933
tors. eta vs tors. theta energy: -41.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -325.435154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.435154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.435154 (E_RNA)
where:
Base-Base interactions energy: -164.759
where: short stacking energy: -106.374
Base-Backbone interact. energy: 1.752
local terms energy: -162.428773
where:
bonds (distance) C4'-P energy: -30.454
bonds (distance) P-C4' energy: -37.831
flat angles C4'-P-C4' energy: -44.995
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -233.772658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.772658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.772658 (E_RNA)
where:
Base-Base interactions energy: -99.048
where: short stacking energy: -63.688
Base-Backbone interact. energy: -1.486
local terms energy: -133.239280
where:
bonds (distance) C4'-P energy: -36.315
bonds (distance) P-C4' energy: -35.522
flat angles C4'-P-C4' energy: -37.096
flat angles P-C4'-P energy: -26.496
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: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -214.699604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.699604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.699604 (E_RNA)
where:
Base-Base interactions energy: -84.814
where: short stacking energy: -73.150
Base-Backbone interact. energy: -1.137
local terms energy: -128.749311
where:
bonds (distance) C4'-P energy: -27.282
bonds (distance) P-C4' energy: -46.145
flat angles C4'-P-C4' energy: -31.185
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -201.990672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.990672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.990672 (E_RNA)
where:
Base-Base interactions energy: -61.912
where: short stacking energy: -56.953
Base-Backbone interact. energy: -0.318
local terms energy: -139.761168
where:
bonds (distance) C4'-P energy: -47.299
bonds (distance) P-C4' energy: -35.564
flat angles C4'-P-C4' energy: -30.748
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: -5.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -213.048612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.048612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.048612 (E_RNA)
where:
Base-Base interactions energy: -85.389
where: short stacking energy: -71.046
Base-Backbone interact. energy: 5.023
local terms energy: -132.682827
where:
bonds (distance) C4'-P energy: -26.812
bonds (distance) P-C4' energy: -43.560
flat angles C4'-P-C4' energy: -39.033
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -620.018173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.018173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.018173 (E_RNA)
where:
Base-Base interactions energy: -399.678
where: short stacking energy: -174.122
Base-Backbone interact. energy: 1.232
local terms energy: -221.572598
where:
bonds (distance) C4'-P energy: -47.129
bonds (distance) P-C4' energy: -49.021
flat angles C4'-P-C4' energy: -45.300
flat angles P-C4'-P energy: -29.461
tors. eta vs tors. theta energy: -50.661
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: 5
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -658.095841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.095841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.095841 (E_RNA)
where:
Base-Base interactions energy: -430.046
where: short stacking energy: -196.016
Base-Backbone interact. energy: -1.563
local terms energy: -226.487286
where:
bonds (distance) C4'-P energy: -40.767
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -48.735
flat angles P-C4'-P energy: -36.040
tors. eta vs tors. theta energy: -62.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -592.920176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.920176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.920176 (E_RNA)
where:
Base-Base interactions energy: -367.024
where: short stacking energy: -183.812
Base-Backbone interact. energy: -0.208
local terms energy: -225.688299
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -42.781
flat angles C4'-P-C4' energy: -42.759
flat angles P-C4'-P energy: -36.085
tors. eta vs tors. theta energy: -62.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -522.697742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.697742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.697742 (E_RNA)
where:
Base-Base interactions energy: -325.808
where: short stacking energy: -165.534
Base-Backbone interact. energy: -0.184
local terms energy: -196.705870
where:
bonds (distance) C4'-P energy: -39.720
bonds (distance) P-C4' energy: -36.508
flat angles C4'-P-C4' energy: -44.517
flat angles P-C4'-P energy: -28.889
tors. eta vs tors. theta energy: -47.072
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: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -526.163161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.163161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.163161 (E_RNA)
where:
Base-Base interactions energy: -337.964
where: short stacking energy: -158.250
Base-Backbone interact. energy: -0.089
local terms energy: -188.109971
where:
bonds (distance) C4'-P energy: -42.402
bonds (distance) P-C4' energy: -36.571
flat angles C4'-P-C4' energy: -47.555
flat angles P-C4'-P energy: -11.603
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: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -325.981665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.981665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.981665 (E_RNA)
where:
Base-Base interactions energy: -174.663
where: short stacking energy: -97.857
Base-Backbone interact. energy: -0.450
local terms energy: -150.868733
where:
bonds (distance) C4'-P energy: -40.292
bonds (distance) P-C4' energy: -30.684
flat angles C4'-P-C4' energy: -39.308
flat angles P-C4'-P energy: -19.999
tors. eta vs tors. theta energy: -20.585
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: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -224.845327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.845327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.845327 (E_RNA)
where:
Base-Base interactions energy: -81.495
where: short stacking energy: -75.744
Base-Backbone interact. energy: -0.613
local terms energy: -142.737631
where:
bonds (distance) C4'-P energy: -37.062
bonds (distance) P-C4' energy: -40.140
flat angles C4'-P-C4' energy: -30.309
flat angles P-C4'-P energy: -20.893
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -209.518831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.518831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.518831 (E_RNA)
where:
Base-Base interactions energy: -84.272
where: short stacking energy: -64.502
Base-Backbone interact. energy: 1.435
local terms energy: -126.681690
where:
bonds (distance) C4'-P energy: -38.846
bonds (distance) P-C4' energy: -38.010
flat angles C4'-P-C4' energy: -31.480
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: 2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -205.948029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.948029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.948029 (E_RNA)
where:
Base-Base interactions energy: -72.864
where: short stacking energy: -64.291
Base-Backbone interact. energy: 2.098
local terms energy: -135.182082
where:
bonds (distance) C4'-P energy: -43.429
bonds (distance) P-C4' energy: -34.716
flat angles C4'-P-C4' energy: -35.387
flat angles P-C4'-P energy: -23.485
tors. eta vs tors. theta energy: 1.836
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: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -168.747220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.747220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.747220 (E_RNA)
where:
Base-Base interactions energy: -56.573
where: short stacking energy: -43.412
Base-Backbone interact. energy: -1.503
local terms energy: -110.670313
where:
bonds (distance) C4'-P energy: -29.158
bonds (distance) P-C4' energy: -45.992
flat angles C4'-P-C4' energy: -27.649
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: 4.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -626.363317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.363317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.363317 (E_RNA)
where:
Base-Base interactions energy: -398.276
where: short stacking energy: -184.344
Base-Backbone interact. energy: -0.655
local terms energy: -227.432525
where:
bonds (distance) C4'-P energy: -46.412
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -46.474
flat angles P-C4'-P energy: -34.620
tors. eta vs tors. theta energy: -52.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -666.461834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.461834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.461834 (E_RNA)
where:
Base-Base interactions energy: -435.675
where: short stacking energy: -201.428
Base-Backbone interact. energy: -1.223
local terms energy: -229.563991
where:
bonds (distance) C4'-P energy: -40.130
bonds (distance) P-C4' energy: -40.891
flat angles C4'-P-C4' energy: -45.801
flat angles P-C4'-P energy: -37.280
tors. eta vs tors. theta energy: -65.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -579.168066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.168066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.168066 (E_RNA)
where:
Base-Base interactions energy: -386.325
where: short stacking energy: -191.796
Base-Backbone interact. energy: 3.817
local terms energy: -196.659912
where:
bonds (distance) C4'-P energy: -39.153
bonds (distance) P-C4' energy: -28.983
flat angles C4'-P-C4' energy: -44.153
flat angles P-C4'-P energy: -27.305
tors. eta vs tors. theta energy: -57.066
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: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -524.049998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.049998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.049998 (E_RNA)
where:
Base-Base interactions energy: -337.867
where: short stacking energy: -154.470
Base-Backbone interact. energy: -0.122
local terms energy: -186.060725
where:
bonds (distance) C4'-P energy: -36.153
bonds (distance) P-C4' energy: -38.259
flat angles C4'-P-C4' energy: -43.632
flat angles P-C4'-P energy: -25.682
tors. eta vs tors. theta energy: -42.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -472.076620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.076620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.076620 (E_RNA)
where:
Base-Base interactions energy: -287.332
where: short stacking energy: -135.475
Base-Backbone interact. energy: 0.013
local terms energy: -184.757322
where:
bonds (distance) C4'-P energy: -38.554
bonds (distance) P-C4' energy: -38.828
flat angles C4'-P-C4' energy: -42.696
flat angles P-C4'-P energy: -34.922
tors. eta vs tors. theta energy: -29.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -326.543481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.543481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.543481 (E_RNA)
where:
Base-Base interactions energy: -174.679
where: short stacking energy: -98.874
Base-Backbone interact. energy: 0.636
local terms energy: -152.501256
where:
bonds (distance) C4'-P energy: -44.441
bonds (distance) P-C4' energy: -35.362
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -21.807
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -232.898264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.898264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.898264 (E_RNA)
where:
Base-Base interactions energy: -75.377
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.134
local terms energy: -157.386986
where:
bonds (distance) C4'-P energy: -42.591
bonds (distance) P-C4' energy: -35.282
flat angles C4'-P-C4' energy: -38.691
flat angles P-C4'-P energy: -27.559
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -217.205965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.205965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.205965 (E_RNA)
where:
Base-Base interactions energy: -75.055
where: short stacking energy: -64.490
Base-Backbone interact. energy: 0.469
local terms energy: -142.619564
where:
bonds (distance) C4'-P energy: -34.214
bonds (distance) P-C4' energy: -42.908
flat angles C4'-P-C4' energy: -39.022
flat angles P-C4'-P energy: -21.498
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -223.501775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.501775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.501775 (E_RNA)
where:
Base-Base interactions energy: -97.209
where: short stacking energy: -66.394
Base-Backbone interact. energy: 0.701
local terms energy: -126.993922
where:
bonds (distance) C4'-P energy: -43.458
bonds (distance) P-C4' energy: -37.509
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -175.544093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.544093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.544093 (E_RNA)
where:
Base-Base interactions energy: -53.819
where: short stacking energy: -52.756
Base-Backbone interact. energy: -0.660
local terms energy: -121.065894
where:
bonds (distance) C4'-P energy: -28.531
bonds (distance) P-C4' energy: -35.840
flat angles C4'-P-C4' energy: -33.128
flat angles P-C4'-P energy: -27.406
tors. eta vs tors. theta energy: 3.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -697.613744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.613744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.613744 (E_RNA)
where:
Base-Base interactions energy: -456.634
where: short stacking energy: -218.189
Base-Backbone interact. energy: -1.278
local terms energy: -239.701915
where:
bonds (distance) C4'-P energy: -45.129
bonds (distance) P-C4' energy: -40.512
flat angles C4'-P-C4' energy: -47.542
flat angles P-C4'-P energy: -39.133
tors. eta vs tors. theta energy: -67.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -601.662296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.662296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.662296 (E_RNA)
where:
Base-Base interactions energy: -387.908
where: short stacking energy: -175.442
Base-Backbone interact. energy: -0.851
local terms energy: -212.903543
where:
bonds (distance) C4'-P energy: -40.358
bonds (distance) P-C4' energy: -45.139
flat angles C4'-P-C4' energy: -48.369
flat angles P-C4'-P energy: -30.848
tors. eta vs tors. theta energy: -48.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -555.067394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.067394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.067394 (E_RNA)
where:
Base-Base interactions energy: -350.816
where: short stacking energy: -170.686
Base-Backbone interact. energy: -0.313
local terms energy: -203.938822
where:
bonds (distance) C4'-P energy: -40.941
bonds (distance) P-C4' energy: -41.412
flat angles C4'-P-C4' energy: -41.371
flat angles P-C4'-P energy: -33.119
tors. eta vs tors. theta energy: -47.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -555.446806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.446806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.446806 (E_RNA)
where:
Base-Base interactions energy: -359.105
where: short stacking energy: -158.729
Base-Backbone interact. energy: 2.270
local terms energy: -198.611226
where:
bonds (distance) C4'-P energy: -39.568
bonds (distance) P-C4' energy: -39.506
flat angles C4'-P-C4' energy: -40.974
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -51.489
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: 7
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -493.890092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.890092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.890092 (E_RNA)
where:
Base-Base interactions energy: -315.789
where: short stacking energy: -148.728
Base-Backbone interact. energy: 0.564
local terms energy: -178.664797
where:
bonds (distance) C4'-P energy: -29.537
bonds (distance) P-C4' energy: -38.380
flat angles C4'-P-C4' energy: -43.709
flat angles P-C4'-P energy: -30.222
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: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -360.825084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.825084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.825084 (E_RNA)
where:
Base-Base interactions energy: -198.652
where: short stacking energy: -108.384
Base-Backbone interact. energy: -0.399
local terms energy: -161.773920
where:
bonds (distance) C4'-P energy: -38.894
bonds (distance) P-C4' energy: -37.565
flat angles C4'-P-C4' energy: -33.068
flat angles P-C4'-P energy: -26.476
tors. eta vs tors. theta energy: -25.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -234.547769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.547769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.547769 (E_RNA)
where:
Base-Base interactions energy: -79.587
where: short stacking energy: -55.314
Base-Backbone interact. energy: -1.049
local terms energy: -153.912660
where:
bonds (distance) C4'-P energy: -40.745
bonds (distance) P-C4' energy: -46.908
flat angles C4'-P-C4' energy: -38.904
flat angles P-C4'-P energy: -29.484
tors. eta vs tors. theta energy: 2.129
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: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -225.246262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.246262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.246262 (E_RNA)
where:
Base-Base interactions energy: -89.344
where: short stacking energy: -83.326
Base-Backbone interact. energy: -0.240
local terms energy: -135.662641
where:
bonds (distance) C4'-P energy: -38.183
bonds (distance) P-C4' energy: -44.157
flat angles C4'-P-C4' energy: -36.586
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -203.602999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.602999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.602999 (E_RNA)
where:
Base-Base interactions energy: -57.684
where: short stacking energy: -56.886
Base-Backbone interact. energy: -0.303
local terms energy: -145.616249
where:
bonds (distance) C4'-P energy: -38.010
bonds (distance) P-C4' energy: -39.408
flat angles C4'-P-C4' energy: -39.200
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: 0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -176.109011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.109011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.109011 (E_RNA)
where:
Base-Base interactions energy: -57.093
where: short stacking energy: -56.842
Base-Backbone interact. energy: 3.203
local terms energy: -122.218683
where:
bonds (distance) C4'-P energy: -40.700
bonds (distance) P-C4' energy: -41.270
flat angles C4'-P-C4' energy: -25.881
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -2.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -691.141906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.141906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.141906 (E_RNA)
where:
Base-Base interactions energy: -454.347
where: short stacking energy: -218.781
Base-Backbone interact. energy: -0.043
local terms energy: -236.751586
where:
bonds (distance) C4'-P energy: -44.386
bonds (distance) P-C4' energy: -50.304
flat angles C4'-P-C4' energy: -47.328
flat angles P-C4'-P energy: -32.090
tors. eta vs tors. theta energy: -62.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -622.182404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.182404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.182404 (E_RNA)
where:
Base-Base interactions energy: -405.031
where: short stacking energy: -180.703
Base-Backbone interact. energy: 1.250
local terms energy: -218.402222
where:
bonds (distance) C4'-P energy: -37.746
bonds (distance) P-C4' energy: -43.441
flat angles C4'-P-C4' energy: -48.474
flat angles P-C4'-P energy: -36.738
tors. eta vs tors. theta energy: -52.002
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: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -564.075040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.075040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.075040 (E_RNA)
where:
Base-Base interactions energy: -356.469
where: short stacking energy: -182.064
Base-Backbone interact. energy: -0.636
local terms energy: -206.969606
where:
bonds (distance) C4'-P energy: -40.472
bonds (distance) P-C4' energy: -42.657
flat angles C4'-P-C4' energy: -45.009
flat angles P-C4'-P energy: -22.998
tors. eta vs tors. theta energy: -55.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -547.416705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.416705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.416705 (E_RNA)
where:
Base-Base interactions energy: -372.335
where: short stacking energy: -153.389
Base-Backbone interact. energy: -1.541
local terms energy: -173.541133
where:
bonds (distance) C4'-P energy: -39.053
bonds (distance) P-C4' energy: -43.090
flat angles C4'-P-C4' energy: -37.964
flat angles P-C4'-P energy: -17.527
tors. eta vs tors. theta energy: -35.907
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: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -515.764248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.764248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.764248 (E_RNA)
where:
Base-Base interactions energy: -328.748
where: short stacking energy: -160.175
Base-Backbone interact. energy: 2.819
local terms energy: -189.835010
where:
bonds (distance) C4'-P energy: -32.024
bonds (distance) P-C4' energy: -40.420
flat angles C4'-P-C4' energy: -39.272
flat angles P-C4'-P energy: -33.233
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: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -346.575075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.575075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.575075 (E_RNA)
where:
Base-Base interactions energy: -186.510
where: short stacking energy: -109.852
Base-Backbone interact. energy: -0.313
local terms energy: -159.751925
where:
bonds (distance) C4'-P energy: -37.949
bonds (distance) P-C4' energy: -35.586
flat angles C4'-P-C4' energy: -40.623
flat angles P-C4'-P energy: -22.979
tors. eta vs tors. theta energy: -22.614
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: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -236.023898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.023898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.023898 (E_RNA)
where:
Base-Base interactions energy: -90.233
where: short stacking energy: -82.062
Base-Backbone interact. energy: 1.058
local terms energy: -146.848284
where:
bonds (distance) C4'-P energy: -37.180
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -37.623
flat angles P-C4'-P energy: -23.043
tors. eta vs tors. theta energy: -8.893
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: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -220.728934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.728934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.728934 (E_RNA)
where:
Base-Base interactions energy: -110.004
where: short stacking energy: -53.540
Base-Backbone interact. energy: 1.625
local terms energy: -112.349538
where:
bonds (distance) C4'-P energy: -36.478
bonds (distance) P-C4' energy: -41.629
flat angles C4'-P-C4' energy: -33.251
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: 12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -194.743009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.743009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.743009 (E_RNA)
where:
Base-Base interactions energy: -59.054
where: short stacking energy: -52.295
Base-Backbone interact. energy: -1.149
local terms energy: -134.539909
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -40.177
flat angles C4'-P-C4' energy: -33.375
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: 3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -194.534513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.534513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.534513 (E_RNA)
where:
Base-Base interactions energy: -64.388
where: short stacking energy: -54.150
Base-Backbone interact. energy: -0.586
local terms energy: -129.560127
where:
bonds (distance) C4'-P energy: -36.035
bonds (distance) P-C4' energy: -38.283
flat angles C4'-P-C4' energy: -33.292
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: 0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -664.266024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.266024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.266024 (E_RNA)
where:
Base-Base interactions energy: -427.125
where: short stacking energy: -205.882
Base-Backbone interact. energy: 3.197
local terms energy: -240.338259
where:
bonds (distance) C4'-P energy: -47.814
bonds (distance) P-C4' energy: -46.250
flat angles C4'-P-C4' energy: -50.155
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -66.942
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: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -614.754935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.754935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.754935 (E_RNA)
where:
Base-Base interactions energy: -412.409
where: short stacking energy: -171.582
Base-Backbone interact. energy: -0.355
local terms energy: -201.990477
where:
bonds (distance) C4'-P energy: -42.574
bonds (distance) P-C4' energy: -42.377
flat angles C4'-P-C4' energy: -47.311
flat angles P-C4'-P energy: -26.720
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: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -589.129804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.129804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.129804 (E_RNA)
where:
Base-Base interactions energy: -373.454
where: short stacking energy: -194.026
Base-Backbone interact. energy: -0.084
local terms energy: -215.591622
where:
bonds (distance) C4'-P energy: -41.364
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -45.191
flat angles P-C4'-P energy: -30.162
tors. eta vs tors. theta energy: -55.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -548.292628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.292628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.292628 (E_RNA)
where:
Base-Base interactions energy: -350.996
where: short stacking energy: -172.890
Base-Backbone interact. energy: -0.630
local terms energy: -196.667151
where:
bonds (distance) C4'-P energy: -43.116
bonds (distance) P-C4' energy: -39.440
flat angles C4'-P-C4' energy: -44.983
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: -48.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -343.486337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.486337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.486337 (E_RNA)
where:
Base-Base interactions energy: -190.859
where: short stacking energy: -110.309
Base-Backbone interact. energy: 1.960
local terms energy: -154.586990
where:
bonds (distance) C4'-P energy: -37.822
bonds (distance) P-C4' energy: -45.744
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -14.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -477.382345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.382345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.382345 (E_RNA)
where:
Base-Base interactions energy: -288.427
where: short stacking energy: -131.995
Base-Backbone interact. energy: -0.587
local terms energy: -188.368890
where:
bonds (distance) C4'-P energy: -35.698
bonds (distance) P-C4' energy: -43.212
flat angles C4'-P-C4' energy: -37.851
flat angles P-C4'-P energy: -29.821
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: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -302.750337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.750337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.750337 (E_RNA)
where:
Base-Base interactions energy: -143.020
where: short stacking energy: -86.141
Base-Backbone interact. energy: -2.454
local terms energy: -157.277191
where:
bonds (distance) C4'-P energy: -36.849
bonds (distance) P-C4' energy: -40.437
flat angles C4'-P-C4' energy: -37.376
flat angles P-C4'-P energy: -29.897
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -207.577326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.577326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.577326 (E_RNA)
where:
Base-Base interactions energy: -68.640
where: short stacking energy: -55.501
Base-Backbone interact. energy: -0.253
local terms energy: -138.684147
where:
bonds (distance) C4'-P energy: -35.329
bonds (distance) P-C4' energy: -37.300
flat angles C4'-P-C4' energy: -35.165
flat angles P-C4'-P energy: -29.944
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: 9, replica: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -191.199543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.199543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.199543 (E_RNA)
where:
Base-Base interactions energy: -54.002
where: short stacking energy: -51.293
Base-Backbone interact. energy: -0.256
local terms energy: -136.941825
where:
bonds (distance) C4'-P energy: -38.264
bonds (distance) P-C4' energy: -36.430
flat angles C4'-P-C4' energy: -35.317
flat angles P-C4'-P energy: -25.302
tors. eta vs tors. theta energy: -1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -178.435916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.435916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.435916 (E_RNA)
where:
Base-Base interactions energy: -52.572
where: short stacking energy: -42.053
Base-Backbone interact. energy: -0.538
local terms energy: -125.326321
where:
bonds (distance) C4'-P energy: -39.736
bonds (distance) P-C4' energy: -38.100
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -3.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -669.222708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.222708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.222708 (E_RNA)
where:
Base-Base interactions energy: -442.052
where: short stacking energy: -200.331
Base-Backbone interact. energy: -0.857
local terms energy: -226.313803
where:
bonds (distance) C4'-P energy: -41.586
bonds (distance) P-C4' energy: -42.296
flat angles C4'-P-C4' energy: -44.277
flat angles P-C4'-P energy: -36.724
tors. eta vs tors. theta energy: -61.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -602.761029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.761029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.761029 (E_RNA)
where:
Base-Base interactions energy: -377.412
where: short stacking energy: -180.870
Base-Backbone interact. energy: 1.209
local terms energy: -226.557627
where:
bonds (distance) C4'-P energy: -39.935
bonds (distance) P-C4' energy: -48.454
flat angles C4'-P-C4' energy: -47.709
flat angles P-C4'-P energy: -38.167
tors. eta vs tors. theta energy: -52.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -596.308097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.308097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.308097 (E_RNA)
where:
Base-Base interactions energy: -383.889
where: short stacking energy: -177.635
Base-Backbone interact. energy: -0.417
local terms energy: -212.002242
where:
bonds (distance) C4'-P energy: -46.732
bonds (distance) P-C4' energy: -33.667
flat angles C4'-P-C4' energy: -50.218
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -52.937
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: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -549.142585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.142585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.142585 (E_RNA)
where:
Base-Base interactions energy: -344.394
where: short stacking energy: -155.879
Base-Backbone interact. energy: -1.483
local terms energy: -203.265187
where:
bonds (distance) C4'-P energy: -40.189
bonds (distance) P-C4' energy: -37.275
flat angles C4'-P-C4' energy: -47.310
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -53.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -392.443436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.443436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.443436 (E_RNA)
where:
Base-Base interactions energy: -218.683
where: short stacking energy: -135.540
Base-Backbone interact. energy: -1.383
local terms energy: -172.376813
where:
bonds (distance) C4'-P energy: -35.995
bonds (distance) P-C4' energy: -35.419
flat angles C4'-P-C4' energy: -43.638
flat angles P-C4'-P energy: -25.922
tors. eta vs tors. theta energy: -31.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -436.238986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.238986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.238986 (E_RNA)
where:
Base-Base interactions energy: -261.565
where: short stacking energy: -122.740
Base-Backbone interact. energy: -1.155
local terms energy: -173.518994
where:
bonds (distance) C4'-P energy: -38.378
bonds (distance) P-C4' energy: -37.727
flat angles C4'-P-C4' energy: -46.510
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -29.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -311.194760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.194760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.194760 (E_RNA)
where:
Base-Base interactions energy: -171.841
where: short stacking energy: -111.052
Base-Backbone interact. energy: 3.157
local terms energy: -142.511474
where:
bonds (distance) C4'-P energy: -35.360
bonds (distance) P-C4' energy: -36.027
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -218.327233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.327233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.327233 (E_RNA)
where:
Base-Base interactions energy: -93.818
where: short stacking energy: -72.169
Base-Backbone interact. energy: 0.763
local terms energy: -125.272810
where:
bonds (distance) C4'-P energy: -27.939
bonds (distance) P-C4' energy: -41.803
flat angles C4'-P-C4' energy: -34.938
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -203.779660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.779660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.779660 (E_RNA)
where:
Base-Base interactions energy: -81.362
where: short stacking energy: -65.677
Base-Backbone interact. energy: -0.614
local terms energy: -121.803334
where:
bonds (distance) C4'-P energy: -28.594
bonds (distance) P-C4' energy: -39.755
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -16.694
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -191.816267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.816267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.816267 (E_RNA)
where:
Base-Base interactions energy: -70.118
where: short stacking energy: -58.213
Base-Backbone interact. energy: 0.043
local terms energy: -121.741003
where:
bonds (distance) C4'-P energy: -34.276
bonds (distance) P-C4' energy: -39.525
flat angles C4'-P-C4' energy: -33.523
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: 3.862
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: 5
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -656.352428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.352428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.352428 (E_RNA)
where:
Base-Base interactions energy: -435.161
where: short stacking energy: -211.747
Base-Backbone interact. energy: -0.579
local terms energy: -220.612896
where:
bonds (distance) C4'-P energy: -43.101
bonds (distance) P-C4' energy: -47.466
flat angles C4'-P-C4' energy: -42.446
flat angles P-C4'-P energy: -29.577
tors. eta vs tors. theta energy: -58.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -613.156608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.156608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.156608 (E_RNA)
where:
Base-Base interactions energy: -406.559
where: short stacking energy: -191.820
Base-Backbone interact. energy: -0.192
local terms energy: -206.406195
where:
bonds (distance) C4'-P energy: -38.574
bonds (distance) P-C4' energy: -48.047
flat angles C4'-P-C4' energy: -41.180
flat angles P-C4'-P energy: -26.432
tors. eta vs tors. theta energy: -52.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -585.965976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.965976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.965976 (E_RNA)
where:
Base-Base interactions energy: -383.993
where: short stacking energy: -178.015
Base-Backbone interact. energy: -0.634
local terms energy: -201.339119
where:
bonds (distance) C4'-P energy: -40.970
bonds (distance) P-C4' energy: -37.784
flat angles C4'-P-C4' energy: -45.560
flat angles P-C4'-P energy: -28.722
tors. eta vs tors. theta energy: -48.303
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: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -559.880676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.880676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.880676 (E_RNA)
where:
Base-Base interactions energy: -370.511
where: short stacking energy: -151.811
Base-Backbone interact. energy: -0.894
local terms energy: -188.476122
where:
bonds (distance) C4'-P energy: -38.703
bonds (distance) P-C4' energy: -37.636
flat angles C4'-P-C4' energy: -38.272
flat angles P-C4'-P energy: -32.199
tors. eta vs tors. theta energy: -41.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -436.032512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.032512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.032512 (E_RNA)
where:
Base-Base interactions energy: -249.052
where: short stacking energy: -107.196
Base-Backbone interact. energy: -0.564
local terms energy: -186.417142
where:
bonds (distance) C4'-P energy: -45.156
bonds (distance) P-C4' energy: -44.274
flat angles C4'-P-C4' energy: -46.584
flat angles P-C4'-P energy: -28.626
tors. eta vs tors. theta energy: -21.777
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: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -389.937371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.937371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.937371 (E_RNA)
where:
Base-Base interactions energy: -217.842
where: short stacking energy: -116.536
Base-Backbone interact. energy: -0.529
local terms energy: -171.566184
where:
bonds (distance) C4'-P energy: -36.056
bonds (distance) P-C4' energy: -39.675
flat angles C4'-P-C4' energy: -38.084
flat angles P-C4'-P energy: -31.448
tors. eta vs tors. theta energy: -26.303
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: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -288.462603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.462603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.462603 (E_RNA)
where:
Base-Base interactions energy: -139.154
where: short stacking energy: -89.016
Base-Backbone interact. energy: -0.330
local terms energy: -148.979081
where:
bonds (distance) C4'-P energy: -31.977
bonds (distance) P-C4' energy: -39.561
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -203.604343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.604343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.604343 (E_RNA)
where:
Base-Base interactions energy: -79.670
where: short stacking energy: -57.440
Base-Backbone interact. energy: -0.687
local terms energy: -123.247478
where:
bonds (distance) C4'-P energy: -32.313
bonds (distance) P-C4' energy: -35.651
flat angles C4'-P-C4' energy: -26.175
flat angles P-C4'-P energy: -29.706
tors. eta vs tors. theta energy: 0.598
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: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -192.551739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.551739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.551739 (E_RNA)
where:
Base-Base interactions energy: -72.802
where: short stacking energy: -54.680
Base-Backbone interact. energy: 3.155
local terms energy: -122.904787
where:
bonds (distance) C4'-P energy: -33.912
bonds (distance) P-C4' energy: -38.570
flat angles C4'-P-C4' energy: -31.474
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: 2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -197.438446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.438446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.438446 (E_RNA)
where:
Base-Base interactions energy: -80.593
where: short stacking energy: -46.021
Base-Backbone interact. energy: -1.303
local terms energy: -115.541719
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -32.329
flat angles C4'-P-C4' energy: -30.415
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: 2.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -668.016131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.016131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.016131 (E_RNA)
where:
Base-Base interactions energy: -438.217
where: short stacking energy: -210.663
Base-Backbone interact. energy: -0.140
local terms energy: -229.658760
where:
bonds (distance) C4'-P energy: -37.415
bonds (distance) P-C4' energy: -44.600
flat angles C4'-P-C4' energy: -49.378
flat angles P-C4'-P energy: -36.287
tors. eta vs tors. theta energy: -61.978
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: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -603.406307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.406307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.406307 (E_RNA)
where:
Base-Base interactions energy: -388.914
where: short stacking energy: -179.406
Base-Backbone interact. energy: -0.628
local terms energy: -213.864451
where:
bonds (distance) C4'-P energy: -51.149
bonds (distance) P-C4' energy: -44.272
flat angles C4'-P-C4' energy: -43.430
flat angles P-C4'-P energy: -25.577
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: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -588.414185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.414185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.414185 (E_RNA)
where:
Base-Base interactions energy: -367.516
where: short stacking energy: -167.668
Base-Backbone interact. energy: -0.019
local terms energy: -220.879398
where:
bonds (distance) C4'-P energy: -41.510
bonds (distance) P-C4' energy: -44.564
flat angles C4'-P-C4' energy: -51.886
flat angles P-C4'-P energy: -33.479
tors. eta vs tors. theta energy: -49.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -565.401271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.401271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.401271 (E_RNA)
where:
Base-Base interactions energy: -382.300
where: short stacking energy: -158.816
Base-Backbone interact. energy: -1.606
local terms energy: -181.495363
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -40.704
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -29.036
tors. eta vs tors. theta energy: -42.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -458.816881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.816881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.816881 (E_RNA)
where:
Base-Base interactions energy: -266.590
where: short stacking energy: -130.747
Base-Backbone interact. energy: -0.228
local terms energy: -191.998593
where:
bonds (distance) C4'-P energy: -35.915
bonds (distance) P-C4' energy: -48.289
flat angles C4'-P-C4' energy: -44.669
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -37.433
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: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -363.391496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.391496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.391496 (E_RNA)
where:
Base-Base interactions energy: -197.613
where: short stacking energy: -105.386
Base-Backbone interact. energy: -0.450
local terms energy: -165.328122
where:
bonds (distance) C4'-P energy: -45.414
bonds (distance) P-C4' energy: -34.118
flat angles C4'-P-C4' energy: -28.552
flat angles P-C4'-P energy: -28.470
tors. eta vs tors. theta energy: -28.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -298.753922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.753922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.753922 (E_RNA)
where:
Base-Base interactions energy: -156.942
where: short stacking energy: -81.309
Base-Backbone interact. energy: -0.475
local terms energy: -141.337294
where:
bonds (distance) C4'-P energy: -37.555
bonds (distance) P-C4' energy: -36.780
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -26.786
tors. eta vs tors. theta energy: -9.333
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: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -198.696255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.696255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.696255 (E_RNA)
where:
Base-Base interactions energy: -68.373
where: short stacking energy: -52.007
Base-Backbone interact. energy: 0.083
local terms energy: -130.406769
where:
bonds (distance) C4'-P energy: -32.417
bonds (distance) P-C4' energy: -42.811
flat angles C4'-P-C4' energy: -25.548
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -8.510
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: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -233.015995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.015995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.015995 (E_RNA)
where:
Base-Base interactions energy: -109.938
where: short stacking energy: -68.818
Base-Backbone interact. energy: 6.655
local terms energy: -129.732837
where:
bonds (distance) C4'-P energy: -41.488
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -28.629
flat angles P-C4'-P energy: -28.452
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -184.703307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.703307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.703307 (E_RNA)
where:
Base-Base interactions energy: -59.518
where: short stacking energy: -50.188
Base-Backbone interact. energy: 0.340
local terms energy: -125.525498
where:
bonds (distance) C4'-P energy: -30.822
bonds (distance) P-C4' energy: -40.878
flat angles C4'-P-C4' energy: -29.397
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -671.861098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.861098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.861098 (E_RNA)
where:
Base-Base interactions energy: -438.798
where: short stacking energy: -212.622
Base-Backbone interact. energy: -0.020
local terms energy: -233.043584
where:
bonds (distance) C4'-P energy: -43.741
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -52.912
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -64.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -595.031359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.031359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.031359 (E_RNA)
where:
Base-Base interactions energy: -393.666
where: short stacking energy: -178.664
Base-Backbone interact. energy: 1.105
local terms energy: -202.470769
where:
bonds (distance) C4'-P energy: -32.266
bonds (distance) P-C4' energy: -45.938
flat angles C4'-P-C4' energy: -41.344
flat angles P-C4'-P energy: -28.497
tors. eta vs tors. theta energy: -54.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -580.999836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.999836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.999836 (E_RNA)
where:
Base-Base interactions energy: -370.724
where: short stacking energy: -175.812
Base-Backbone interact. energy: -1.456
local terms energy: -208.819825
where:
bonds (distance) C4'-P energy: -41.084
bonds (distance) P-C4' energy: -43.196
flat angles C4'-P-C4' energy: -46.049
flat angles P-C4'-P energy: -34.340
tors. eta vs tors. theta energy: -44.152
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: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -553.556164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.556164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.556164 (E_RNA)
where:
Base-Base interactions energy: -357.928
where: short stacking energy: -174.262
Base-Backbone interact. energy: 2.723
local terms energy: -198.350894
where:
bonds (distance) C4'-P energy: -34.788
bonds (distance) P-C4' energy: -40.828
flat angles C4'-P-C4' energy: -43.522
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: -51.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -479.127168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.127168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.127168 (E_RNA)
where:
Base-Base interactions energy: -289.005
where: short stacking energy: -151.613
Base-Backbone interact. energy: -0.532
local terms energy: -189.590498
where:
bonds (distance) C4'-P energy: -44.555
bonds (distance) P-C4' energy: -35.161
flat angles C4'-P-C4' energy: -34.841
flat angles P-C4'-P energy: -35.948
tors. eta vs tors. theta energy: -39.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -356.655817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.655817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.655817 (E_RNA)
where:
Base-Base interactions energy: -186.692
where: short stacking energy: -115.261
Base-Backbone interact. energy: 0.092
local terms energy: -170.055288
where:
bonds (distance) C4'-P energy: -41.315
bonds (distance) P-C4' energy: -40.410
flat angles C4'-P-C4' energy: -38.392
flat angles P-C4'-P energy: -27.282
tors. eta vs tors. theta energy: -22.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -311.840235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.840235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.840235 (E_RNA)
where:
Base-Base interactions energy: -160.337
where: short stacking energy: -91.564
Base-Backbone interact. energy: 1.496
local terms energy: -152.999362
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -44.876
flat angles C4'-P-C4' energy: -36.195
flat angles P-C4'-P energy: -27.738
tors. eta vs tors. theta energy: -13.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -218.655768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.655768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.655768 (E_RNA)
where:
Base-Base interactions energy: -76.348
where: short stacking energy: -68.975
Base-Backbone interact. energy: 0.133
local terms energy: -142.440713
where:
bonds (distance) C4'-P energy: -43.018
bonds (distance) P-C4' energy: -41.536
flat angles C4'-P-C4' energy: -33.209
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -13.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -239.685970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.685970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.685970 (E_RNA)
where:
Base-Base interactions energy: -106.312
where: short stacking energy: -71.692
Base-Backbone interact. energy: 0.829
local terms energy: -134.203144
where:
bonds (distance) C4'-P energy: -28.042
bonds (distance) P-C4' energy: -39.524
flat angles C4'-P-C4' energy: -39.511
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -6.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -178.113742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.113742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.113742 (E_RNA)
where:
Base-Base interactions energy: -57.779
where: short stacking energy: -43.316
Base-Backbone interact. energy: -0.394
local terms energy: -119.941330
where:
bonds (distance) C4'-P energy: -37.876
bonds (distance) P-C4' energy: -34.568
flat angles C4'-P-C4' energy: -32.509
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: 5.491
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: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -652.290849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.290849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.290849 (E_RNA)
where:
Base-Base interactions energy: -411.042
where: short stacking energy: -214.574
Base-Backbone interact. energy: 0.579
local terms energy: -241.828535
where:
bonds (distance) C4'-P energy: -47.609
bonds (distance) P-C4' energy: -49.405
flat angles C4'-P-C4' energy: -42.433
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -66.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -624.890184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.890184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.890184 (E_RNA)
where:
Base-Base interactions energy: -425.648
where: short stacking energy: -188.403
Base-Backbone interact. energy: -0.746
local terms energy: -198.496888
where:
bonds (distance) C4'-P energy: -42.489
bonds (distance) P-C4' energy: -40.178
flat angles C4'-P-C4' energy: -44.107
flat angles P-C4'-P energy: -26.032
tors. eta vs tors. theta energy: -45.691
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: 3, replica: 3
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -581.718664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.718664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.718664 (E_RNA)
where:
Base-Base interactions energy: -379.342
where: short stacking energy: -162.497
Base-Backbone interact. energy: 1.454
local terms energy: -203.831049
where:
bonds (distance) C4'-P energy: -45.770
bonds (distance) P-C4' energy: -39.775
flat angles C4'-P-C4' energy: -43.298
flat angles P-C4'-P energy: -24.224
tors. eta vs tors. theta energy: -50.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -542.567294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.567294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.567294 (E_RNA)
where:
Base-Base interactions energy: -344.889
where: short stacking energy: -150.853
Base-Backbone interact. energy: -0.453
local terms energy: -197.225261
where:
bonds (distance) C4'-P energy: -35.729
bonds (distance) P-C4' energy: -39.491
flat angles C4'-P-C4' energy: -46.012
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -43.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -487.343909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.343909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.343909 (E_RNA)
where:
Base-Base interactions energy: -296.986
where: short stacking energy: -152.565
Base-Backbone interact. energy: -0.130
local terms energy: -190.228148
where:
bonds (distance) C4'-P energy: -38.628
bonds (distance) P-C4' energy: -38.127
flat angles C4'-P-C4' energy: -40.515
flat angles P-C4'-P energy: -33.533
tors. eta vs tors. theta energy: -39.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -356.815820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.815820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.815820 (E_RNA)
where:
Base-Base interactions energy: -196.584
where: short stacking energy: -107.091
Base-Backbone interact. energy: 1.332
local terms energy: -161.563515
where:
bonds (distance) C4'-P energy: -41.496
bonds (distance) P-C4' energy: -41.857
flat angles C4'-P-C4' energy: -28.339
flat angles P-C4'-P energy: -23.085
tors. eta vs tors. theta energy: -26.787
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: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -326.813827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.813827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.813827 (E_RNA)
where:
Base-Base interactions energy: -185.281
where: short stacking energy: -91.215
Base-Backbone interact. energy: -1.030
local terms energy: -140.502859
where:
bonds (distance) C4'-P energy: -30.203
bonds (distance) P-C4' energy: -43.127
flat angles C4'-P-C4' energy: -33.819
flat angles P-C4'-P energy: -20.989
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -246.745916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.745916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.745916 (E_RNA)
where:
Base-Base interactions energy: -102.082
where: short stacking energy: -64.282
Base-Backbone interact. energy: -0.387
local terms energy: -144.277772
where:
bonds (distance) C4'-P energy: -34.755
bonds (distance) P-C4' energy: -40.850
flat angles C4'-P-C4' energy: -32.775
flat angles P-C4'-P energy: -31.124
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -198.244679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.244679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.244679 (E_RNA)
where:
Base-Base interactions energy: -61.669
where: short stacking energy: -44.115
Base-Backbone interact. energy: -0.441
local terms energy: -136.134901
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -45.268
flat angles C4'-P-C4' energy: -27.164
flat angles P-C4'-P energy: -24.197
tors. eta vs tors. theta energy: 1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -189.058199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.058199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.058199 (E_RNA)
where:
Base-Base interactions energy: -66.054
where: short stacking energy: -52.313
Base-Backbone interact. energy: -0.603
local terms energy: -122.400900
where:
bonds (distance) C4'-P energy: -27.137
bonds (distance) P-C4' energy: -37.214
flat angles C4'-P-C4' energy: -37.492
flat angles P-C4'-P energy: -20.759
tors. eta vs tors. theta energy: 0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -661.119683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.119683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.119683 (E_RNA)
where:
Base-Base interactions energy: -436.465
where: short stacking energy: -203.056
Base-Backbone interact. energy: -0.268
local terms energy: -224.386133
where:
bonds (distance) C4'-P energy: -44.059
bonds (distance) P-C4' energy: -31.547
flat angles C4'-P-C4' energy: -48.513
flat angles P-C4'-P energy: -40.436
tors. eta vs tors. theta energy: -59.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -599.059317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.059317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.059317 (E_RNA)
where:
Base-Base interactions energy: -403.814
where: short stacking energy: -184.010
Base-Backbone interact. energy: -0.906
local terms energy: -194.339031
where:
bonds (distance) C4'-P energy: -40.448
bonds (distance) P-C4' energy: -33.912
flat angles C4'-P-C4' energy: -43.351
flat angles P-C4'-P energy: -24.136
tors. eta vs tors. theta energy: -52.491
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: 182
Temperature: 1.000000
Total energy: -597.946294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.946294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.946294 (E_RNA)
where:
Base-Base interactions energy: -394.765
where: short stacking energy: -181.068
Base-Backbone interact. energy: -0.310
local terms energy: -202.871808
where:
bonds (distance) C4'-P energy: -41.469
bonds (distance) P-C4' energy: -35.066
flat angles C4'-P-C4' energy: -45.660
flat angles P-C4'-P energy: -30.986
tors. eta vs tors. theta energy: -49.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -527.445765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.445765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.445765 (E_RNA)
where:
Base-Base interactions energy: -332.722
where: short stacking energy: -138.335
Base-Backbone interact. energy: 3.488
local terms energy: -198.211959
where:
bonds (distance) C4'-P energy: -45.087
bonds (distance) P-C4' energy: -36.756
flat angles C4'-P-C4' energy: -45.412
flat angles P-C4'-P energy: -34.995
tors. eta vs tors. theta energy: -35.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -493.547120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.547120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.547120 (E_RNA)
where:
Base-Base interactions energy: -290.999
where: short stacking energy: -149.708
Base-Backbone interact. energy: -1.316
local terms energy: -201.232190
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -46.520
flat angles C4'-P-C4' energy: -45.886
flat angles P-C4'-P energy: -26.629
tors. eta vs tors. theta energy: -41.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -329.223980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.223980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.223980 (E_RNA)
where:
Base-Base interactions energy: -167.154
where: short stacking energy: -103.311
Base-Backbone interact. energy: -0.562
local terms energy: -161.508545
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -41.927
flat angles C4'-P-C4' energy: -31.600
flat angles P-C4'-P energy: -31.952
tors. eta vs tors. theta energy: -18.493
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: 182
Temperature: 1.200000
Total energy: -289.984923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.984923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.984923 (E_RNA)
where:
Base-Base interactions energy: -160.469
where: short stacking energy: -101.218
Base-Backbone interact. energy: 0.609
local terms energy: -130.125002
where:
bonds (distance) C4'-P energy: -36.790
bonds (distance) P-C4' energy: -36.186
flat angles C4'-P-C4' energy: -24.641
flat angles P-C4'-P energy: -21.496
tors. eta vs tors. theta energy: -11.012
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: 182
Temperature: 1.250000
Total energy: -249.986076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.986076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.986076 (E_RNA)
where:
Base-Base interactions energy: -113.474
where: short stacking energy: -79.486
Base-Backbone interact. energy: -0.783
local terms energy: -135.729090
where:
bonds (distance) C4'-P energy: -26.537
bonds (distance) P-C4' energy: -29.945
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -32.460
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -198.825035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.825035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.825035 (E_RNA)
where:
Base-Base interactions energy: -67.250
where: short stacking energy: -63.807
Base-Backbone interact. energy: -0.480
local terms energy: -131.094938
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -34.831
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -181.779228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.779228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.779228 (E_RNA)
where:
Base-Base interactions energy: -50.572
where: short stacking energy: -49.899
Base-Backbone interact. energy: 0.472
local terms energy: -131.678331
where:
bonds (distance) C4'-P energy: -38.754
bonds (distance) P-C4' energy: -41.617
flat angles C4'-P-C4' energy: -37.032
flat angles P-C4'-P energy: -21.166
tors. eta vs tors. theta energy: 6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -663.913553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.913553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.913553 (E_RNA)
where:
Base-Base interactions energy: -437.874
where: short stacking energy: -194.630
Base-Backbone interact. energy: -0.572
local terms energy: -225.467960
where:
bonds (distance) C4'-P energy: -44.908
bonds (distance) P-C4' energy: -45.142
flat angles C4'-P-C4' energy: -44.402
flat angles P-C4'-P energy: -33.064
tors. eta vs tors. theta energy: -57.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -598.144695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.144695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.144695 (E_RNA)
where:
Base-Base interactions energy: -392.355
where: short stacking energy: -171.894
Base-Backbone interact. energy: -0.309
local terms energy: -205.480718
where:
bonds (distance) C4'-P energy: -35.960
bonds (distance) P-C4' energy: -49.260
flat angles C4'-P-C4' energy: -35.768
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -47.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -588.833291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.833291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.833291 (E_RNA)
where:
Base-Base interactions energy: -384.044
where: short stacking energy: -178.122
Base-Backbone interact. energy: -0.165
local terms energy: -204.624669
where:
bonds (distance) C4'-P energy: -42.263
bonds (distance) P-C4' energy: -45.319
flat angles C4'-P-C4' energy: -44.188
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -51.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -535.289088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.289088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.289088 (E_RNA)
where:
Base-Base interactions energy: -324.645
where: short stacking energy: -155.828
Base-Backbone interact. energy: -0.963
local terms energy: -209.680871
where:
bonds (distance) C4'-P energy: -43.343
bonds (distance) P-C4' energy: -39.391
flat angles C4'-P-C4' energy: -46.804
flat angles P-C4'-P energy: -37.742
tors. eta vs tors. theta energy: -42.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -496.246040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.246040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.246040 (E_RNA)
where:
Base-Base interactions energy: -305.637
where: short stacking energy: -149.242
Base-Backbone interact. energy: -0.487
local terms energy: -190.122121
where:
bonds (distance) C4'-P energy: -36.645
bonds (distance) P-C4' energy: -40.387
flat angles C4'-P-C4' energy: -43.799
flat angles P-C4'-P energy: -29.482
tors. eta vs tors. theta energy: -39.810
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: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -341.344711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.344711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.344711 (E_RNA)
where:
Base-Base interactions energy: -183.792
where: short stacking energy: -117.809
Base-Backbone interact. energy: -0.747
local terms energy: -156.806291
where:
bonds (distance) C4'-P energy: -36.443
bonds (distance) P-C4' energy: -42.301
flat angles C4'-P-C4' energy: -37.395
flat angles P-C4'-P energy: -24.201
tors. eta vs tors. theta energy: -16.466
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: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -313.436019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.436019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.436019 (E_RNA)
where:
Base-Base interactions energy: -152.584
where: short stacking energy: -94.583
Base-Backbone interact. energy: -0.379
local terms energy: -160.473029
where:
bonds (distance) C4'-P energy: -39.847
bonds (distance) P-C4' energy: -42.701
flat angles C4'-P-C4' energy: -36.162
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -222.908177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.908177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.908177 (E_RNA)
where:
Base-Base interactions energy: -101.464
where: short stacking energy: -72.199
Base-Backbone interact. energy: -0.414
local terms energy: -121.029914
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -42.292
flat angles C4'-P-C4' energy: -25.167
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -258.512589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.512589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.512589 (E_RNA)
where:
Base-Base interactions energy: -123.299
where: short stacking energy: -85.872
Base-Backbone interact. energy: -0.367
local terms energy: -134.847016
where:
bonds (distance) C4'-P energy: -36.693
bonds (distance) P-C4' energy: -32.945
flat angles C4'-P-C4' energy: -32.412
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -174.859401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.859401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.859401 (E_RNA)
where:
Base-Base interactions energy: -64.242
where: short stacking energy: -63.207
Base-Backbone interact. energy: -0.142
local terms energy: -110.474877
where:
bonds (distance) C4'-P energy: -45.764
bonds (distance) P-C4' energy: -32.210
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -653.917991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.917991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.917991 (E_RNA)
where:
Base-Base interactions energy: -425.983
where: short stacking energy: -202.497
Base-Backbone interact. energy: 0.998
local terms energy: -228.932780
where:
bonds (distance) C4'-P energy: -36.586
bonds (distance) P-C4' energy: -48.403
flat angles C4'-P-C4' energy: -45.885
flat angles P-C4'-P energy: -36.950
tors. eta vs tors. theta energy: -61.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -593.611159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.611159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.611159 (E_RNA)
where:
Base-Base interactions energy: -392.222
where: short stacking energy: -186.306
Base-Backbone interact. energy: 0.158
local terms energy: -201.547376
where:
bonds (distance) C4'-P energy: -40.271
bonds (distance) P-C4' energy: -32.976
flat angles C4'-P-C4' energy: -44.347
flat angles P-C4'-P energy: -31.853
tors. eta vs tors. theta energy: -52.101
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: 184
Temperature: 1.000000
Total energy: -576.723958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.723958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.723958 (E_RNA)
where:
Base-Base interactions energy: -371.293
where: short stacking energy: -191.872
Base-Backbone interact. energy: 2.535
local terms energy: -207.966089
where:
bonds (distance) C4'-P energy: -35.181
bonds (distance) P-C4' energy: -36.857
flat angles C4'-P-C4' energy: -46.432
flat angles P-C4'-P energy: -32.635
tors. eta vs tors. theta energy: -56.862
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: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -563.504918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.504918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.504918 (E_RNA)
where:
Base-Base interactions energy: -361.446
where: short stacking energy: -171.163
Base-Backbone interact. energy: 0.139
local terms energy: -202.197904
where:
bonds (distance) C4'-P energy: -35.067
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -49.061
flat angles P-C4'-P energy: -28.404
tors. eta vs tors. theta energy: -45.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -465.384415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.384415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.384415 (E_RNA)
where:
Base-Base interactions energy: -285.346
where: short stacking energy: -136.981
Base-Backbone interact. energy: -0.251
local terms energy: -179.787420
where:
bonds (distance) C4'-P energy: -40.852
bonds (distance) P-C4' energy: -46.067
flat angles C4'-P-C4' energy: -45.629
flat angles P-C4'-P energy: -21.245
tors. eta vs tors. theta energy: -25.994
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: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -321.454059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.454059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.454059 (E_RNA)
where:
Base-Base interactions energy: -147.203
where: short stacking energy: -99.479
Base-Backbone interact. energy: -1.028
local terms energy: -173.222526
where:
bonds (distance) C4'-P energy: -37.332
bonds (distance) P-C4' energy: -45.060
flat angles C4'-P-C4' energy: -41.811
flat angles P-C4'-P energy: -25.328
tors. eta vs tors. theta energy: -23.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -311.389769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.389769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.389769 (E_RNA)
where:
Base-Base interactions energy: -163.548
where: short stacking energy: -79.518
Base-Backbone interact. energy: 0.855
local terms energy: -148.697268
where:
bonds (distance) C4'-P energy: -39.232
bonds (distance) P-C4' energy: -32.385
flat angles C4'-P-C4' energy: -39.092
flat angles P-C4'-P energy: -29.349
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -215.669444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.669444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.669444 (E_RNA)
where:
Base-Base interactions energy: -73.003
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.562
local terms energy: -142.104654
where:
bonds (distance) C4'-P energy: -42.186
bonds (distance) P-C4' energy: -35.396
flat angles C4'-P-C4' energy: -32.224
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -9.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -242.166500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.166500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.166500 (E_RNA)
where:
Base-Base interactions energy: -107.139
where: short stacking energy: -70.526
Base-Backbone interact. energy: 0.716
local terms energy: -135.744296
where:
bonds (distance) C4'-P energy: -40.087
bonds (distance) P-C4' energy: -37.101
flat angles C4'-P-C4' energy: -32.141
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -184.009596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.009596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.009596 (E_RNA)
where:
Base-Base interactions energy: -81.577
where: short stacking energy: -61.885
Base-Backbone interact. energy: -1.255
local terms energy: -101.177672
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: 6.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -646.346036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.346036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.346036 (E_RNA)
where:
Base-Base interactions energy: -429.510
where: short stacking energy: -189.051
Base-Backbone interact. energy: -0.295
local terms energy: -216.541347
where:
bonds (distance) C4'-P energy: -44.275
bonds (distance) P-C4' energy: -42.705
flat angles C4'-P-C4' energy: -41.552
flat angles P-C4'-P energy: -35.408
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: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -585.397612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.397612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.397612 (E_RNA)
where:
Base-Base interactions energy: -376.220
where: short stacking energy: -180.048
Base-Backbone interact. energy: 0.158
local terms energy: -209.336120
where:
bonds (distance) C4'-P energy: -32.828
bonds (distance) P-C4' energy: -48.943
flat angles C4'-P-C4' energy: -49.215
flat angles P-C4'-P energy: -30.262
tors. eta vs tors. theta energy: -48.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -602.086654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.086654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.086654 (E_RNA)
where:
Base-Base interactions energy: -389.990
where: short stacking energy: -165.703
Base-Backbone interact. energy: -0.589
local terms energy: -211.507231
where:
bonds (distance) C4'-P energy: -45.653
bonds (distance) P-C4' energy: -39.560
flat angles C4'-P-C4' energy: -43.428
flat angles P-C4'-P energy: -30.717
tors. eta vs tors. theta energy: -52.150
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: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -546.142497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.142497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.142497 (E_RNA)
where:
Base-Base interactions energy: -334.151
where: short stacking energy: -160.048
Base-Backbone interact. energy: -0.636
local terms energy: -211.355039
where:
bonds (distance) C4'-P energy: -42.958
bonds (distance) P-C4' energy: -46.008
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -50.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -456.867377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.867377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.867377 (E_RNA)
where:
Base-Base interactions energy: -264.533
where: short stacking energy: -130.221
Base-Backbone interact. energy: 1.477
local terms energy: -193.811523
where:
bonds (distance) C4'-P energy: -45.529
bonds (distance) P-C4' energy: -42.488
flat angles C4'-P-C4' energy: -43.637
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -35.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -316.032913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.032913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.032913 (E_RNA)
where:
Base-Base interactions energy: -161.547
where: short stacking energy: -83.194
Base-Backbone interact. energy: -0.518
local terms energy: -153.968073
where:
bonds (distance) C4'-P energy: -39.464
bonds (distance) P-C4' energy: -44.895
flat angles C4'-P-C4' energy: -27.562
flat angles P-C4'-P energy: -22.072
tors. eta vs tors. theta energy: -19.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -324.116738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.116738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.116738 (E_RNA)
where:
Base-Base interactions energy: -186.640
where: short stacking energy: -104.898
Base-Backbone interact. energy: -1.307
local terms energy: -136.170014
where:
bonds (distance) C4'-P energy: -36.346
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -23.801
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -280.416601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.416601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.416601 (E_RNA)
where:
Base-Base interactions energy: -138.360
where: short stacking energy: -67.977
Base-Backbone interact. energy: -0.338
local terms energy: -141.717933
where:
bonds (distance) C4'-P energy: -41.721
bonds (distance) P-C4' energy: -37.692
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -16.286
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: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -198.019452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.019452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.019452 (E_RNA)
where:
Base-Base interactions energy: -58.774
where: short stacking energy: -44.210
Base-Backbone interact. energy: -0.469
local terms energy: -138.776813
where:
bonds (distance) C4'-P energy: -40.628
bonds (distance) P-C4' energy: -39.894
flat angles C4'-P-C4' energy: -37.361
flat angles P-C4'-P energy: -27.668
tors. eta vs tors. theta energy: 6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -184.350260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.350260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.350260 (E_RNA)
where:
Base-Base interactions energy: -70.351
where: short stacking energy: -62.152
Base-Backbone interact. energy: -0.759
local terms energy: -113.239941
where:
bonds (distance) C4'-P energy: -43.559
bonds (distance) P-C4' energy: -30.094
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -23.683
tors. eta vs tors. theta energy: 4.655
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: 5
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -649.530579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.530579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.530579 (E_RNA)
where:
Base-Base interactions energy: -419.600
where: short stacking energy: -197.279
Base-Backbone interact. energy: -0.108
local terms energy: -229.822396
where:
bonds (distance) C4'-P energy: -38.868
bonds (distance) P-C4' energy: -46.914
flat angles C4'-P-C4' energy: -45.707
flat angles P-C4'-P energy: -34.066
tors. eta vs tors. theta energy: -64.266
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: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -606.709589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.709589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.709589 (E_RNA)
where:
Base-Base interactions energy: -396.738
where: short stacking energy: -179.244
Base-Backbone interact. energy: 0.078
local terms energy: -210.049359
where:
bonds (distance) C4'-P energy: -43.971
bonds (distance) P-C4' energy: -35.763
flat angles C4'-P-C4' energy: -42.240
flat angles P-C4'-P energy: -28.830
tors. eta vs tors. theta energy: -59.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -604.608679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.608679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.608679 (E_RNA)
where:
Base-Base interactions energy: -392.630
where: short stacking energy: -184.547
Base-Backbone interact. energy: 0.305
local terms energy: -212.284612
where:
bonds (distance) C4'-P energy: -38.572
bonds (distance) P-C4' energy: -42.245
flat angles C4'-P-C4' energy: -50.476
flat angles P-C4'-P energy: -28.599
tors. eta vs tors. theta energy: -52.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -543.079438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.079438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.079438 (E_RNA)
where:
Base-Base interactions energy: -344.857
where: short stacking energy: -167.624
Base-Backbone interact. energy: -0.577
local terms energy: -197.645979
where:
bonds (distance) C4'-P energy: -43.414
bonds (distance) P-C4' energy: -34.323
flat angles C4'-P-C4' energy: -45.338
flat angles P-C4'-P energy: -20.350
tors. eta vs tors. theta energy: -54.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -504.327381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.327381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.327381 (E_RNA)
where:
Base-Base interactions energy: -312.429
where: short stacking energy: -155.157
Base-Backbone interact. energy: 0.034
local terms energy: -191.932982
where:
bonds (distance) C4'-P energy: -41.783
bonds (distance) P-C4' energy: -39.854
flat angles C4'-P-C4' energy: -44.540
flat angles P-C4'-P energy: -31.144
tors. eta vs tors. theta energy: -34.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -331.198178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.198178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.198178 (E_RNA)
where:
Base-Base interactions energy: -168.138
where: short stacking energy: -105.794
Base-Backbone interact. energy: -0.319
local terms energy: -162.740376
where:
bonds (distance) C4'-P energy: -39.073
bonds (distance) P-C4' energy: -38.293
flat angles C4'-P-C4' energy: -35.918
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -22.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -297.189011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.189011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.189011 (E_RNA)
where:
Base-Base interactions energy: -138.846
where: short stacking energy: -87.672
Base-Backbone interact. energy: 0.133
local terms energy: -158.476115
where:
bonds (distance) C4'-P energy: -33.564
bonds (distance) P-C4' energy: -47.241
flat angles C4'-P-C4' energy: -47.871
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -286.572656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.572656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.572656 (E_RNA)
where:
Base-Base interactions energy: -148.713
where: short stacking energy: -81.618
Base-Backbone interact. energy: -1.497
local terms energy: -136.363273
where:
bonds (distance) C4'-P energy: -30.976
bonds (distance) P-C4' energy: -37.761
flat angles C4'-P-C4' energy: -32.188
flat angles P-C4'-P energy: -25.455
tors. eta vs tors. theta energy: -9.984
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: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -196.091316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.091316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.091316 (E_RNA)
where:
Base-Base interactions energy: -74.832
where: short stacking energy: -63.664
Base-Backbone interact. energy: -1.440
local terms energy: -119.819356
where:
bonds (distance) C4'-P energy: -28.265
bonds (distance) P-C4' energy: -46.262
flat angles C4'-P-C4' energy: -28.656
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: 1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -182.216518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.216518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.216518 (E_RNA)
where:
Base-Base interactions energy: -67.436
where: short stacking energy: -43.480
Base-Backbone interact. energy: 0.355
local terms energy: -115.135882
where:
bonds (distance) C4'-P energy: -41.927
bonds (distance) P-C4' energy: -38.359
flat angles C4'-P-C4' energy: -29.038
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: 11.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -659.140966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.140966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.140966 (E_RNA)
where:
Base-Base interactions energy: -430.419
where: short stacking energy: -199.622
Base-Backbone interact. energy: -0.332
local terms energy: -228.390133
where:
bonds (distance) C4'-P energy: -46.586
bonds (distance) P-C4' energy: -45.669
flat angles C4'-P-C4' energy: -43.587
flat angles P-C4'-P energy: -34.363
tors. eta vs tors. theta energy: -58.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -604.095680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.095680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.095680 (E_RNA)
where:
Base-Base interactions energy: -393.652
where: short stacking energy: -170.872
Base-Backbone interact. energy: -0.585
local terms energy: -209.859042
where:
bonds (distance) C4'-P energy: -42.943
bonds (distance) P-C4' energy: -43.500
flat angles C4'-P-C4' energy: -45.820
flat angles P-C4'-P energy: -26.542
tors. eta vs tors. theta energy: -51.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -593.969724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.969724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.969724 (E_RNA)
where:
Base-Base interactions energy: -392.906
where: short stacking energy: -171.293
Base-Backbone interact. energy: 1.059
local terms energy: -202.122608
where:
bonds (distance) C4'-P energy: -36.958
bonds (distance) P-C4' energy: -41.275
flat angles C4'-P-C4' energy: -45.731
flat angles P-C4'-P energy: -31.199
tors. eta vs tors. theta energy: -46.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -546.806164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.806164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.806164 (E_RNA)
where:
Base-Base interactions energy: -350.874
where: short stacking energy: -164.245
Base-Backbone interact. energy: -0.186
local terms energy: -195.745757
where:
bonds (distance) C4'-P energy: -42.305
bonds (distance) P-C4' energy: -42.834
flat angles C4'-P-C4' energy: -37.751
flat angles P-C4'-P energy: -28.402
tors. eta vs tors. theta energy: -44.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -477.658164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.658164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.658164 (E_RNA)
where:
Base-Base interactions energy: -292.977
where: short stacking energy: -146.028
Base-Backbone interact. energy: -0.565
local terms energy: -184.117056
where:
bonds (distance) C4'-P energy: -39.070
bonds (distance) P-C4' energy: -35.906
flat angles C4'-P-C4' energy: -39.855
flat angles P-C4'-P energy: -29.087
tors. eta vs tors. theta energy: -40.199
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: 6
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -296.429014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.429014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.429014 (E_RNA)
where:
Base-Base interactions energy: -132.026
where: short stacking energy: -97.439
Base-Backbone interact. energy: 1.827
local terms energy: -166.230394
where:
bonds (distance) C4'-P energy: -38.958
bonds (distance) P-C4' energy: -36.505
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -26.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -293.836920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.836920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.836920 (E_RNA)
where:
Base-Base interactions energy: -152.046
where: short stacking energy: -91.997
Base-Backbone interact. energy: -0.679
local terms energy: -141.112284
where:
bonds (distance) C4'-P energy: -37.705
bonds (distance) P-C4' energy: -36.704
flat angles C4'-P-C4' energy: -29.408
flat angles P-C4'-P energy: -26.104
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -347.179763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.179763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.179763 (E_RNA)
where:
Base-Base interactions energy: -187.091
where: short stacking energy: -103.763
Base-Backbone interact. energy: 1.825
local terms energy: -161.913198
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -39.684
flat angles C4'-P-C4' energy: -38.569
flat angles P-C4'-P energy: -24.393
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -216.650978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.650978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.650978 (E_RNA)
where:
Base-Base interactions energy: -94.816
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.537
local terms energy: -121.297311
where:
bonds (distance) C4'-P energy: -30.632
bonds (distance) P-C4' energy: -36.318
flat angles C4'-P-C4' energy: -35.754
flat angles P-C4'-P energy: -17.340
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -181.790809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.790809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.790809 (E_RNA)
where:
Base-Base interactions energy: -62.071
where: short stacking energy: -39.197
Base-Backbone interact. energy: -0.299
local terms energy: -119.421513
where:
bonds (distance) C4'-P energy: -35.069
bonds (distance) P-C4' energy: -38.039
flat angles C4'-P-C4' energy: -34.838
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: 7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -661.533901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.533901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.533901 (E_RNA)
where:
Base-Base interactions energy: -443.659
where: short stacking energy: -192.951
Base-Backbone interact. energy: -0.887
local terms energy: -216.988483
where:
bonds (distance) C4'-P energy: -43.997
bonds (distance) P-C4' energy: -42.138
flat angles C4'-P-C4' energy: -47.823
flat angles P-C4'-P energy: -35.667
tors. eta vs tors. theta energy: -47.365
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: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -621.271300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.271300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.271300 (E_RNA)
where:
Base-Base interactions energy: -398.808
where: short stacking energy: -182.633
Base-Backbone interact. energy: -0.335
local terms energy: -222.127594
where:
bonds (distance) C4'-P energy: -40.103
bonds (distance) P-C4' energy: -50.533
flat angles C4'-P-C4' energy: -44.075
flat angles P-C4'-P energy: -29.176
tors. eta vs tors. theta energy: -58.241
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: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -562.605957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.605957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.605957 (E_RNA)
where:
Base-Base interactions energy: -358.739
where: short stacking energy: -159.936
Base-Backbone interact. energy: -0.027
local terms energy: -203.840584
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -43.648
flat angles C4'-P-C4' energy: -42.956
flat angles P-C4'-P energy: -31.327
tors. eta vs tors. theta energy: -46.385
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: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -566.460962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.460962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.460962 (E_RNA)
where:
Base-Base interactions energy: -373.067
where: short stacking energy: -166.599
Base-Backbone interact. energy: -0.480
local terms energy: -192.913589
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -39.699
flat angles C4'-P-C4' energy: -38.394
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -41.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -487.158063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.158063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.158063 (E_RNA)
where:
Base-Base interactions energy: -297.934
where: short stacking energy: -149.152
Base-Backbone interact. energy: -1.063
local terms energy: -188.161088
where:
bonds (distance) C4'-P energy: -38.760
bonds (distance) P-C4' energy: -44.014
flat angles C4'-P-C4' energy: -42.029
flat angles P-C4'-P energy: -29.189
tors. eta vs tors. theta energy: -34.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -298.121322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.121322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.121322 (E_RNA)
where:
Base-Base interactions energy: -132.110
where: short stacking energy: -85.364
Base-Backbone interact. energy: -0.271
local terms energy: -165.740482
where:
bonds (distance) C4'-P energy: -33.740
bonds (distance) P-C4' energy: -46.998
flat angles C4'-P-C4' energy: -39.881
flat angles P-C4'-P energy: -27.850
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -351.858775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.858775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.858775 (E_RNA)
where:
Base-Base interactions energy: -202.863
where: short stacking energy: -114.429
Base-Backbone interact. energy: -0.381
local terms energy: -148.615486
where:
bonds (distance) C4'-P energy: -32.784
bonds (distance) P-C4' energy: -36.535
flat angles C4'-P-C4' energy: -36.677
flat angles P-C4'-P energy: -18.218
tors. eta vs tors. theta energy: -24.401
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: 188
Temperature: 1.250000
Total energy: -259.377098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.377098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.377098 (E_RNA)
where:
Base-Base interactions energy: -109.934
where: short stacking energy: -72.765
Base-Backbone interact. energy: 0.166
local terms energy: -149.609167
where:
bonds (distance) C4'-P energy: -31.295
bonds (distance) P-C4' energy: -45.124
flat angles C4'-P-C4' energy: -34.933
flat angles P-C4'-P energy: -25.871
tors. eta vs tors. theta energy: -12.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -191.436356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.436356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.436356 (E_RNA)
where:
Base-Base interactions energy: -76.883
where: short stacking energy: -69.785
Base-Backbone interact. energy: 1.565
local terms energy: -116.117912
where:
bonds (distance) C4'-P energy: -38.786
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -32.057
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -179.264143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.264143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.264143 (E_RNA)
where:
Base-Base interactions energy: -68.329
where: short stacking energy: -58.906
Base-Backbone interact. energy: 0.403
local terms energy: -111.337916
where:
bonds (distance) C4'-P energy: -37.893
bonds (distance) P-C4' energy: -33.677
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -18.998
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: 1, replica: 5
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -664.528292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.528292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.528292 (E_RNA)
where:
Base-Base interactions energy: -432.497
where: short stacking energy: -200.427
Base-Backbone interact. energy: 0.308
local terms energy: -232.339803
where:
bonds (distance) C4'-P energy: -45.707
bonds (distance) P-C4' energy: -45.342
flat angles C4'-P-C4' energy: -52.628
flat angles P-C4'-P energy: -35.413
tors. eta vs tors. theta energy: -53.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -611.997444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.997444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.997444 (E_RNA)
where:
Base-Base interactions energy: -399.103
where: short stacking energy: -175.013
Base-Backbone interact. energy: -0.092
local terms energy: -212.802645
where:
bonds (distance) C4'-P energy: -43.914
bonds (distance) P-C4' energy: -41.010
flat angles C4'-P-C4' energy: -47.319
flat angles P-C4'-P energy: -27.333
tors. eta vs tors. theta energy: -53.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -551.856114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.856114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.856114 (E_RNA)
where:
Base-Base interactions energy: -349.974
where: short stacking energy: -175.961
Base-Backbone interact. energy: -0.180
local terms energy: -201.701958
where:
bonds (distance) C4'-P energy: -37.173
bonds (distance) P-C4' energy: -41.831
flat angles C4'-P-C4' energy: -45.168
flat angles P-C4'-P energy: -32.165
tors. eta vs tors. theta energy: -45.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -576.778989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.778989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.778989 (E_RNA)
where:
Base-Base interactions energy: -361.767
where: short stacking energy: -168.403
Base-Backbone interact. energy: -0.802
local terms energy: -214.209363
where:
bonds (distance) C4'-P energy: -47.173
bonds (distance) P-C4' energy: -39.132
flat angles C4'-P-C4' energy: -43.895
flat angles P-C4'-P energy: -35.432
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: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -506.824911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.824911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.824911 (E_RNA)
where:
Base-Base interactions energy: -324.020
where: short stacking energy: -155.002
Base-Backbone interact. energy: -0.244
local terms energy: -182.560877
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -34.334
flat angles C4'-P-C4' energy: -34.497
flat angles P-C4'-P energy: -29.617
tors. eta vs tors. theta energy: -39.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -364.276880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.276880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.276880 (E_RNA)
where:
Base-Base interactions energy: -203.088
where: short stacking energy: -112.870
Base-Backbone interact. energy: -0.819
local terms energy: -160.369762
where:
bonds (distance) C4'-P energy: -30.272
bonds (distance) P-C4' energy: -34.541
flat angles C4'-P-C4' energy: -41.635
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -34.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -286.904619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.904619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.904619 (E_RNA)
where:
Base-Base interactions energy: -152.937
where: short stacking energy: -96.866
Base-Backbone interact. energy: 0.239
local terms energy: -134.207529
where:
bonds (distance) C4'-P energy: -35.299
bonds (distance) P-C4' energy: -36.264
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -283.722921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.722921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.722921 (E_RNA)
where:
Base-Base interactions energy: -148.614
where: short stacking energy: -80.189
Base-Backbone interact. energy: -0.253
local terms energy: -134.855182
where:
bonds (distance) C4'-P energy: -34.075
bonds (distance) P-C4' energy: -38.171
flat angles C4'-P-C4' energy: -33.032
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -194.171767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.171767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.171767 (E_RNA)
where:
Base-Base interactions energy: -76.597
where: short stacking energy: -56.404
Base-Backbone interact. energy: -1.389
local terms energy: -116.185712
where:
bonds (distance) C4'-P energy: -31.604
bonds (distance) P-C4' energy: -28.230
flat angles C4'-P-C4' energy: -25.581
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -191.687883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.687883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.687883 (E_RNA)
where:
Base-Base interactions energy: -73.461
where: short stacking energy: -67.949
Base-Backbone interact. energy: -0.600
local terms energy: -117.627155
where:
bonds (distance) C4'-P energy: -36.118
bonds (distance) P-C4' energy: -31.040
flat angles C4'-P-C4' energy: -35.972
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: 2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -667.178675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.178675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.178675 (E_RNA)
where:
Base-Base interactions energy: -444.174
where: short stacking energy: -202.391
Base-Backbone interact. energy: 0.328
local terms energy: -223.332271
where:
bonds (distance) C4'-P energy: -40.032
bonds (distance) P-C4' energy: -43.429
flat angles C4'-P-C4' energy: -49.551
flat angles P-C4'-P energy: -31.614
tors. eta vs tors. theta energy: -58.706
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: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -605.464912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.464912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.464912 (E_RNA)
where:
Base-Base interactions energy: -398.888
where: short stacking energy: -187.821
Base-Backbone interact. energy: -1.090
local terms energy: -205.487143
where:
bonds (distance) C4'-P energy: -43.115
bonds (distance) P-C4' energy: -38.538
flat angles C4'-P-C4' energy: -45.128
flat angles P-C4'-P energy: -25.299
tors. eta vs tors. theta energy: -53.407
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: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -604.575879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.575879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.575879 (E_RNA)
where:
Base-Base interactions energy: -394.406
where: short stacking energy: -182.083
Base-Backbone interact. energy: -0.574
local terms energy: -209.596499
where:
bonds (distance) C4'-P energy: -43.613
bonds (distance) P-C4' energy: -43.181
flat angles C4'-P-C4' energy: -42.118
flat angles P-C4'-P energy: -27.418
tors. eta vs tors. theta energy: -53.266
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: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -536.259777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.259777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.259777 (E_RNA)
where:
Base-Base interactions energy: -343.635
where: short stacking energy: -159.602
Base-Backbone interact. energy: 0.068
local terms energy: -192.692196
where:
bonds (distance) C4'-P energy: -31.065
bonds (distance) P-C4' energy: -45.546
flat angles C4'-P-C4' energy: -43.660
flat angles P-C4'-P energy: -32.961
tors. eta vs tors. theta energy: -39.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -476.807547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.807547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.807547 (E_RNA)
where:
Base-Base interactions energy: -299.561
where: short stacking energy: -141.130
Base-Backbone interact. energy: -0.578
local terms energy: -176.668652
where:
bonds (distance) C4'-P energy: -44.236
bonds (distance) P-C4' energy: -38.051
flat angles C4'-P-C4' energy: -31.659
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -40.304
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: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -370.822024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.822024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.822024 (E_RNA)
where:
Base-Base interactions energy: -197.240
where: short stacking energy: -115.010
Base-Backbone interact. energy: -0.965
local terms energy: -172.616711
where:
bonds (distance) C4'-P energy: -41.000
bonds (distance) P-C4' energy: -41.903
flat angles C4'-P-C4' energy: -34.653
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -37.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -286.920508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.920508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.920508 (E_RNA)
where:
Base-Base interactions energy: -144.237
where: short stacking energy: -84.205
Base-Backbone interact. energy: 2.575
local terms energy: -145.258339
where:
bonds (distance) C4'-P energy: -35.774
bonds (distance) P-C4' energy: -40.470
flat angles C4'-P-C4' energy: -40.807
flat angles P-C4'-P energy: -23.560
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: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -288.633464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.633464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.633464 (E_RNA)
where:
Base-Base interactions energy: -139.403
where: short stacking energy: -84.932
Base-Backbone interact. energy: -1.325
local terms energy: -147.904867
where:
bonds (distance) C4'-P energy: -40.252
bonds (distance) P-C4' energy: -41.343
flat angles C4'-P-C4' energy: -37.804
flat angles P-C4'-P energy: -20.222
tors. eta vs tors. theta energy: -8.284
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: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -196.730203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.730203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.730203 (E_RNA)
where:
Base-Base interactions energy: -68.490
where: short stacking energy: -59.237
Base-Backbone interact. energy: -0.476
local terms energy: -127.764088
where:
bonds (distance) C4'-P energy: -27.225
bonds (distance) P-C4' energy: -43.382
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -28.773
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: 9
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -177.467413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.467413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.467413 (E_RNA)
where:
Base-Base interactions energy: -52.765
where: short stacking energy: -43.824
Base-Backbone interact. energy: 0.823
local terms energy: -125.525538
where:
bonds (distance) C4'-P energy: -40.074
bonds (distance) P-C4' energy: -40.743
flat angles C4'-P-C4' energy: -33.791
flat angles P-C4'-P energy: -16.418
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: 5
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -662.277260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.277260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.277260 (E_RNA)
where:
Base-Base interactions energy: -429.863
where: short stacking energy: -202.942
Base-Backbone interact. energy: -1.386
local terms energy: -231.028290
where:
bonds (distance) C4'-P energy: -47.517
bonds (distance) P-C4' energy: -45.795
flat angles C4'-P-C4' energy: -45.168
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -59.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -602.908438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.908438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.908438 (E_RNA)
where:
Base-Base interactions energy: -407.484
where: short stacking energy: -193.162
Base-Backbone interact. energy: -0.615
local terms energy: -194.809854
where:
bonds (distance) C4'-P energy: -33.751
bonds (distance) P-C4' energy: -44.666
flat angles C4'-P-C4' energy: -39.152
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -51.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -585.876915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.876915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.876915 (E_RNA)
where:
Base-Base interactions energy: -392.450
where: short stacking energy: -176.996
Base-Backbone interact. energy: -0.750
local terms energy: -192.676605
where:
bonds (distance) C4'-P energy: -34.074
bonds (distance) P-C4' energy: -38.464
flat angles C4'-P-C4' energy: -45.155
flat angles P-C4'-P energy: -31.096
tors. eta vs tors. theta energy: -43.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -566.285619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.285619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.285619 (E_RNA)
where:
Base-Base interactions energy: -374.715
where: short stacking energy: -159.171
Base-Backbone interact. energy: -1.486
local terms energy: -190.084294
where:
bonds (distance) C4'-P energy: -27.717
bonds (distance) P-C4' energy: -48.334
flat angles C4'-P-C4' energy: -48.755
flat angles P-C4'-P energy: -25.729
tors. eta vs tors. theta energy: -39.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -500.477137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.477137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.477137 (E_RNA)
where:
Base-Base interactions energy: -316.930
where: short stacking energy: -151.754
Base-Backbone interact. energy: -0.904
local terms energy: -182.643390
where:
bonds (distance) C4'-P energy: -35.702
bonds (distance) P-C4' energy: -32.548
flat angles C4'-P-C4' energy: -41.515
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -43.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -363.793002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.793002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.793002 (E_RNA)
where:
Base-Base interactions energy: -187.750
where: short stacking energy: -116.158
Base-Backbone interact. energy: -1.055
local terms energy: -174.987909
where:
bonds (distance) C4'-P energy: -43.192
bonds (distance) P-C4' energy: -43.440
flat angles C4'-P-C4' energy: -41.308
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -20.615
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: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -337.328291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.328291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.328291 (E_RNA)
where:
Base-Base interactions energy: -180.557
where: short stacking energy: -99.004
Base-Backbone interact. energy: 0.051
local terms energy: -156.821824
where:
bonds (distance) C4'-P energy: -34.547
bonds (distance) P-C4' energy: -36.387
flat angles C4'-P-C4' energy: -49.704
flat angles P-C4'-P energy: -21.440
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -290.698321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.698321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.698321 (E_RNA)
where:
Base-Base interactions energy: -150.519
where: short stacking energy: -76.975
Base-Backbone interact. energy: 0.085
local terms energy: -140.264023
where:
bonds (distance) C4'-P energy: -41.294
bonds (distance) P-C4' energy: -33.878
flat angles C4'-P-C4' energy: -35.684
flat angles P-C4'-P energy: -25.984
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -187.335465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.335465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.335465 (E_RNA)
where:
Base-Base interactions energy: -64.313
where: short stacking energy: -48.795
Base-Backbone interact. energy: -0.838
local terms energy: -122.184584
where:
bonds (distance) C4'-P energy: -34.515
bonds (distance) P-C4' energy: -36.974
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -14.827
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -169.494009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.494009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.494009 (E_RNA)
where:
Base-Base interactions energy: -61.343
where: short stacking energy: -58.125
Base-Backbone interact. energy: 1.862
local terms energy: -110.012559
where:
bonds (distance) C4'-P energy: -36.629
bonds (distance) P-C4' energy: -32.231
flat angles C4'-P-C4' energy: -25.894
flat angles P-C4'-P energy: -23.644
tors. eta vs tors. theta energy: 8.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -648.824780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.824780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.824780 (E_RNA)
where:
Base-Base interactions energy: -428.700
where: short stacking energy: -197.291
Base-Backbone interact. energy: -0.692
local terms energy: -219.432585
where:
bonds (distance) C4'-P energy: -37.650
bonds (distance) P-C4' energy: -49.672
flat angles C4'-P-C4' energy: -43.539
flat angles P-C4'-P energy: -32.860
tors. eta vs tors. theta energy: -55.711
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: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -604.700854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.700854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.700854 (E_RNA)
where:
Base-Base interactions energy: -392.997
where: short stacking energy: -174.981
Base-Backbone interact. energy: -1.330
local terms energy: -210.373742
where:
bonds (distance) C4'-P energy: -43.441
bonds (distance) P-C4' energy: -42.625
flat angles C4'-P-C4' energy: -42.709
flat angles P-C4'-P energy: -31.690
tors. eta vs tors. theta energy: -49.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -594.142417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.142417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.142417 (E_RNA)
where:
Base-Base interactions energy: -383.279
where: short stacking energy: -180.675
Base-Backbone interact. energy: -0.456
local terms energy: -210.407236
where:
bonds (distance) C4'-P energy: -33.644
bonds (distance) P-C4' energy: -44.884
flat angles C4'-P-C4' energy: -48.184
flat angles P-C4'-P energy: -33.203
tors. eta vs tors. theta energy: -50.492
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: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -576.483691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.483691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.483691 (E_RNA)
where:
Base-Base interactions energy: -377.955
where: short stacking energy: -171.369
Base-Backbone interact. energy: 0.094
local terms energy: -198.622484
where:
bonds (distance) C4'-P energy: -42.786
bonds (distance) P-C4' energy: -31.128
flat angles C4'-P-C4' energy: -47.636
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -45.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -520.274702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.274702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.274702 (E_RNA)
where:
Base-Base interactions energy: -331.036
where: short stacking energy: -159.356
Base-Backbone interact. energy: -0.768
local terms energy: -188.470752
where:
bonds (distance) C4'-P energy: -35.889
bonds (distance) P-C4' energy: -37.815
flat angles C4'-P-C4' energy: -41.846
flat angles P-C4'-P energy: -31.165
tors. eta vs tors. theta energy: -41.756
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: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -368.144222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.144222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.144222 (E_RNA)
where:
Base-Base interactions energy: -200.601
where: short stacking energy: -94.577
Base-Backbone interact. energy: -0.439
local terms energy: -167.103505
where:
bonds (distance) C4'-P energy: -34.573
bonds (distance) P-C4' energy: -41.201
flat angles C4'-P-C4' energy: -43.165
flat angles P-C4'-P energy: -25.466
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -312.516303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.516303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.516303 (E_RNA)
where:
Base-Base interactions energy: -154.999
where: short stacking energy: -92.675
Base-Backbone interact. energy: -0.593
local terms energy: -156.924453
where:
bonds (distance) C4'-P energy: -35.514
bonds (distance) P-C4' energy: -37.227
flat angles C4'-P-C4' energy: -40.368
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -20.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -268.910904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.910904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.910904 (E_RNA)
where:
Base-Base interactions energy: -134.621
where: short stacking energy: -61.651
Base-Backbone interact. energy: -1.633
local terms energy: -132.657712
where:
bonds (distance) C4'-P energy: -39.484
bonds (distance) P-C4' energy: -37.402
flat angles C4'-P-C4' energy: -33.134
flat angles P-C4'-P energy: -20.864
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: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -199.458743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.458743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.458743 (E_RNA)
where:
Base-Base interactions energy: -63.475
where: short stacking energy: -60.041
Base-Backbone interact. energy: 2.439
local terms energy: -138.422401
where:
bonds (distance) C4'-P energy: -45.740
bonds (distance) P-C4' energy: -29.838
flat angles C4'-P-C4' energy: -30.088
flat angles P-C4'-P energy: -24.935
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -177.297257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.297257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.297257 (E_RNA)
where:
Base-Base interactions energy: -53.773
where: short stacking energy: -37.872
Base-Backbone interact. energy: 2.012
local terms energy: -125.536245
where:
bonds (distance) C4'-P energy: -40.172
bonds (distance) P-C4' energy: -41.022
flat angles C4'-P-C4' energy: -35.758
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: 4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -658.121256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.121256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.121256 (E_RNA)
where:
Base-Base interactions energy: -430.231
where: short stacking energy: -204.454
Base-Backbone interact. energy: 0.641
local terms energy: -228.530767
where:
bonds (distance) C4'-P energy: -42.375
bonds (distance) P-C4' energy: -46.761
flat angles C4'-P-C4' energy: -47.856
flat angles P-C4'-P energy: -32.280
tors. eta vs tors. theta energy: -59.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -641.404434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.404434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.404434 (E_RNA)
where:
Base-Base interactions energy: -397.899
where: short stacking energy: -194.145
Base-Backbone interact. energy: -0.657
local terms energy: -242.848662
where:
bonds (distance) C4'-P energy: -51.519
bonds (distance) P-C4' energy: -46.464
flat angles C4'-P-C4' energy: -54.562
flat angles P-C4'-P energy: -31.995
tors. eta vs tors. theta energy: -58.308
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: 8
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -556.373320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.373320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.373320 (E_RNA)
where:
Base-Base interactions energy: -377.978
where: short stacking energy: -159.962
Base-Backbone interact. energy: 7.106
local terms energy: -185.500937
where:
bonds (distance) C4'-P energy: -39.400
bonds (distance) P-C4' energy: -43.816
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -28.951
tors. eta vs tors. theta energy: -37.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -588.561570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.561570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.561570 (E_RNA)
where:
Base-Base interactions energy: -398.107
where: short stacking energy: -176.024
Base-Backbone interact. energy: -0.303
local terms energy: -190.151109
where:
bonds (distance) C4'-P energy: -39.717
bonds (distance) P-C4' energy: -38.877
flat angles C4'-P-C4' energy: -40.591
flat angles P-C4'-P energy: -28.716
tors. eta vs tors. theta energy: -42.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -514.255284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.255284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.255284 (E_RNA)
where:
Base-Base interactions energy: -317.484
where: short stacking energy: -163.035
Base-Backbone interact. energy: -0.284
local terms energy: -196.487124
where:
bonds (distance) C4'-P energy: -31.737
bonds (distance) P-C4' energy: -43.594
flat angles C4'-P-C4' energy: -45.621
flat angles P-C4'-P energy: -30.832
tors. eta vs tors. theta energy: -44.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -417.766050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.766050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.766050 (E_RNA)
where:
Base-Base interactions energy: -251.001
where: short stacking energy: -140.475
Base-Backbone interact. energy: -0.664
local terms energy: -166.100790
where:
bonds (distance) C4'-P energy: -32.407
bonds (distance) P-C4' energy: -40.528
flat angles C4'-P-C4' energy: -34.297
flat angles P-C4'-P energy: -27.883
tors. eta vs tors. theta energy: -30.986
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: 193
Temperature: 1.200000
Total energy: -324.166594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.166594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.166594 (E_RNA)
where:
Base-Base interactions energy: -182.430
where: short stacking energy: -98.414
Base-Backbone interact. energy: -0.413
local terms energy: -141.323798
where:
bonds (distance) C4'-P energy: -41.760
bonds (distance) P-C4' energy: -35.841
flat angles C4'-P-C4' energy: -30.993
flat angles P-C4'-P energy: -20.402
tors. eta vs tors. theta energy: -12.328
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: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -203.553339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.553339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.553339 (E_RNA)
where:
Base-Base interactions energy: -84.787
where: short stacking energy: -64.739
Base-Backbone interact. energy: -0.016
local terms energy: -118.750539
where:
bonds (distance) C4'-P energy: -32.754
bonds (distance) P-C4' energy: -33.456
flat angles C4'-P-C4' energy: -26.785
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -216.101592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.101592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.101592 (E_RNA)
where:
Base-Base interactions energy: -78.978
where: short stacking energy: -78.315
Base-Backbone interact. energy: -0.673
local terms energy: -136.451432
where:
bonds (distance) C4'-P energy: -29.585
bonds (distance) P-C4' energy: -46.046
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -16.635
tors. eta vs tors. theta energy: -12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -178.282980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.282980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.282980 (E_RNA)
where:
Base-Base interactions energy: -53.928
where: short stacking energy: -45.324
Base-Backbone interact. energy: 0.341
local terms energy: -124.696220
where:
bonds (distance) C4'-P energy: -35.624
bonds (distance) P-C4' energy: -39.905
flat angles C4'-P-C4' energy: -35.519
flat angles P-C4'-P energy: -20.347
tors. eta vs tors. theta energy: 6.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -661.324371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.324371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.324371 (E_RNA)
where:
Base-Base interactions energy: -419.935
where: short stacking energy: -198.679
Base-Backbone interact. energy: -0.075
local terms energy: -241.314146
where:
bonds (distance) C4'-P energy: -51.067
bonds (distance) P-C4' energy: -43.038
flat angles C4'-P-C4' energy: -48.798
flat angles P-C4'-P energy: -38.498
tors. eta vs tors. theta energy: -59.914
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: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -598.084337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.084337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.084337 (E_RNA)
where:
Base-Base interactions energy: -397.286
where: short stacking energy: -185.463
Base-Backbone interact. energy: -0.704
local terms energy: -200.093567
where:
bonds (distance) C4'-P energy: -39.227
bonds (distance) P-C4' energy: -41.439
flat angles C4'-P-C4' energy: -40.882
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -56.294
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: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -603.720405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.720405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.720405 (E_RNA)
where:
Base-Base interactions energy: -387.621
where: short stacking energy: -186.612
Base-Backbone interact. energy: -0.950
local terms energy: -215.149062
where:
bonds (distance) C4'-P energy: -47.125
bonds (distance) P-C4' energy: -35.148
flat angles C4'-P-C4' energy: -40.726
flat angles P-C4'-P energy: -35.632
tors. eta vs tors. theta energy: -56.519
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: 4, replica: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -542.408693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.408693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.408693 (E_RNA)
where:
Base-Base interactions energy: -362.121
where: short stacking energy: -158.786
Base-Backbone interact. energy: -0.899
local terms energy: -179.389332
where:
bonds (distance) C4'-P energy: -41.616
bonds (distance) P-C4' energy: -41.040
flat angles C4'-P-C4' energy: -36.741
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: -35.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -482.854847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.854847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.854847 (E_RNA)
where:
Base-Base interactions energy: -301.961
where: short stacking energy: -155.164
Base-Backbone interact. energy: -0.939
local terms energy: -179.954479
where:
bonds (distance) C4'-P energy: -30.824
bonds (distance) P-C4' energy: -40.133
flat angles C4'-P-C4' energy: -42.480
flat angles P-C4'-P energy: -29.947
tors. eta vs tors. theta energy: -36.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -413.414868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.414868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.414868 (E_RNA)
where:
Base-Base interactions energy: -243.992
where: short stacking energy: -126.672
Base-Backbone interact. energy: -0.686
local terms energy: -168.737019
where:
bonds (distance) C4'-P energy: -42.275
bonds (distance) P-C4' energy: -46.935
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: -36.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -297.048454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.048454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.048454 (E_RNA)
where:
Base-Base interactions energy: -150.125
where: short stacking energy: -72.693
Base-Backbone interact. energy: -2.758
local terms energy: -144.164848
where:
bonds (distance) C4'-P energy: -26.137
bonds (distance) P-C4' energy: -41.923
flat angles C4'-P-C4' energy: -40.582
flat angles P-C4'-P energy: -30.995
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: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -209.974174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.974174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.974174 (E_RNA)
where:
Base-Base interactions energy: -81.024
where: short stacking energy: -57.394
Base-Backbone interact. energy: -0.717
local terms energy: -128.232745
where:
bonds (distance) C4'-P energy: -39.697
bonds (distance) P-C4' energy: -38.329
flat angles C4'-P-C4' energy: -27.323
flat angles P-C4'-P energy: -23.241
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: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -190.008868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.008868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.008868 (E_RNA)
where:
Base-Base interactions energy: -56.554
where: short stacking energy: -47.736
Base-Backbone interact. energy: -0.274
local terms energy: -133.181350
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -38.849
flat angles C4'-P-C4' energy: -24.359
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -189.219195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.219195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.219195 (E_RNA)
where:
Base-Base interactions energy: -77.330
where: short stacking energy: -63.372
Base-Backbone interact. energy: -0.245
local terms energy: -111.644239
where:
bonds (distance) C4'-P energy: -30.727
bonds (distance) P-C4' energy: -29.645
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -5.045
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: 5
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -649.665273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.665273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.665273 (E_RNA)
where:
Base-Base interactions energy: -423.760
where: short stacking energy: -196.211
Base-Backbone interact. energy: -0.088
local terms energy: -225.817248
where:
bonds (distance) C4'-P energy: -43.217
bonds (distance) P-C4' energy: -48.528
flat angles C4'-P-C4' energy: -47.560
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: -57.929
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: 195
Temperature: 0.950000
Total energy: -611.258964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.258964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.258964 (E_RNA)
where:
Base-Base interactions energy: -405.456
where: short stacking energy: -189.061
Base-Backbone interact. energy: 0.901
local terms energy: -206.703382
where:
bonds (distance) C4'-P energy: -46.322
bonds (distance) P-C4' energy: -41.911
flat angles C4'-P-C4' energy: -43.305
flat angles P-C4'-P energy: -26.072
tors. eta vs tors. theta energy: -49.093
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: 195
Temperature: 1.000000
Total energy: -580.856707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.856707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.856707 (E_RNA)
where:
Base-Base interactions energy: -380.045
where: short stacking energy: -176.922
Base-Backbone interact. energy: -0.819
local terms energy: -199.992419
where:
bonds (distance) C4'-P energy: -37.072
bonds (distance) P-C4' energy: -42.217
flat angles C4'-P-C4' energy: -41.037
flat angles P-C4'-P energy: -30.605
tors. eta vs tors. theta energy: -49.061
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: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -543.260204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.260204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.260204 (E_RNA)
where:
Base-Base interactions energy: -350.844
where: short stacking energy: -157.926
Base-Backbone interact. energy: -0.653
local terms energy: -191.763487
where:
bonds (distance) C4'-P energy: -44.857
bonds (distance) P-C4' energy: -39.905
flat angles C4'-P-C4' energy: -39.967
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -46.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -470.219987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.219987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.219987 (E_RNA)
where:
Base-Base interactions energy: -268.887
where: short stacking energy: -144.584
Base-Backbone interact. energy: -0.261
local terms energy: -201.072328
where:
bonds (distance) C4'-P energy: -43.001
bonds (distance) P-C4' energy: -36.244
flat angles C4'-P-C4' energy: -44.583
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: -46.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -411.324333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.324333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.324333 (E_RNA)
where:
Base-Base interactions energy: -259.482
where: short stacking energy: -117.692
Base-Backbone interact. energy: 0.619
local terms energy: -152.461072
where:
bonds (distance) C4'-P energy: -33.327
bonds (distance) P-C4' energy: -40.360
flat angles C4'-P-C4' energy: -38.362
flat angles P-C4'-P energy: -22.773
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -341.738330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.738330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.738330 (E_RNA)
where:
Base-Base interactions energy: -188.741
where: short stacking energy: -106.501
Base-Backbone interact. energy: 0.529
local terms energy: -153.525765
where:
bonds (distance) C4'-P energy: -37.076
bonds (distance) P-C4' energy: -37.804
flat angles C4'-P-C4' energy: -46.999
flat angles P-C4'-P energy: -20.884
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -237.463530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.463530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.463530 (E_RNA)
where:
Base-Base interactions energy: -108.987
where: short stacking energy: -85.165
Base-Backbone interact. energy: -0.750
local terms energy: -127.726746
where:
bonds (distance) C4'-P energy: -30.638
bonds (distance) P-C4' energy: -34.412
flat angles C4'-P-C4' energy: -37.382
flat angles P-C4'-P energy: -20.282
tors. eta vs tors. theta energy: -5.012
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: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -198.169134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.169134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.169134 (E_RNA)
where:
Base-Base interactions energy: -70.434
where: short stacking energy: -57.695
Base-Backbone interact. energy: -1.318
local terms energy: -126.417381
where:
bonds (distance) C4'-P energy: -40.871
bonds (distance) P-C4' energy: -34.288
flat angles C4'-P-C4' energy: -29.734
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -0.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -190.770987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.770987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.770987 (E_RNA)
where:
Base-Base interactions energy: -73.593
where: short stacking energy: -35.828
Base-Backbone interact. energy: 0.588
local terms energy: -117.766516
where:
bonds (distance) C4'-P energy: -41.310
bonds (distance) P-C4' energy: -42.380
flat angles C4'-P-C4' energy: -29.261
flat angles P-C4'-P energy: -20.216
tors. eta vs tors. theta energy: 15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -657.110240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.110240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.110240 (E_RNA)
where:
Base-Base interactions energy: -428.145
where: short stacking energy: -200.981
Base-Backbone interact. energy: -0.222
local terms energy: -228.742615
where:
bonds (distance) C4'-P energy: -44.043
bonds (distance) P-C4' energy: -51.454
flat angles C4'-P-C4' energy: -41.703
flat angles P-C4'-P energy: -29.855
tors. eta vs tors. theta energy: -61.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -626.337091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.337091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.337091 (E_RNA)
where:
Base-Base interactions energy: -412.664
where: short stacking energy: -188.359
Base-Backbone interact. energy: -1.119
local terms energy: -212.554266
where:
bonds (distance) C4'-P energy: -39.671
bonds (distance) P-C4' energy: -46.735
flat angles C4'-P-C4' energy: -41.922
flat angles P-C4'-P energy: -28.171
tors. eta vs tors. theta energy: -56.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -592.646378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.646378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.646378 (E_RNA)
where:
Base-Base interactions energy: -386.498
where: short stacking energy: -173.737
Base-Backbone interact. energy: -0.513
local terms energy: -205.635349
where:
bonds (distance) C4'-P energy: -38.727
bonds (distance) P-C4' energy: -41.364
flat angles C4'-P-C4' energy: -44.648
flat angles P-C4'-P energy: -32.428
tors. eta vs tors. theta energy: -48.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -560.206091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.206091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.206091 (E_RNA)
where:
Base-Base interactions energy: -373.159
where: short stacking energy: -151.718
Base-Backbone interact. energy: -0.836
local terms energy: -186.211264
where:
bonds (distance) C4'-P energy: -43.025
bonds (distance) P-C4' energy: -43.344
flat angles C4'-P-C4' energy: -42.975
flat angles P-C4'-P energy: -23.383
tors. eta vs tors. theta energy: -33.484
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: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -455.838458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.838458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.838458 (E_RNA)
where:
Base-Base interactions energy: -265.940
where: short stacking energy: -139.876
Base-Backbone interact. energy: -0.425
local terms energy: -189.473352
where:
bonds (distance) C4'-P energy: -39.415
bonds (distance) P-C4' energy: -41.076
flat angles C4'-P-C4' energy: -37.808
flat angles P-C4'-P energy: -31.985
tors. eta vs tors. theta energy: -39.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -405.621231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.621231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.621231 (E_RNA)
where:
Base-Base interactions energy: -230.128
where: short stacking energy: -116.395
Base-Backbone interact. energy: 2.311
local terms energy: -177.804064
where:
bonds (distance) C4'-P energy: -42.027
bonds (distance) P-C4' energy: -44.952
flat angles C4'-P-C4' energy: -37.230
flat angles P-C4'-P energy: -25.620
tors. eta vs tors. theta energy: -27.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -301.103422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.103422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.103422 (E_RNA)
where:
Base-Base interactions energy: -161.743
where: short stacking energy: -83.229
Base-Backbone interact. energy: -1.299
local terms energy: -138.061323
where:
bonds (distance) C4'-P energy: -32.570
bonds (distance) P-C4' energy: -37.839
flat angles C4'-P-C4' energy: -39.580
flat angles P-C4'-P energy: -28.051
tors. eta vs tors. theta energy: -0.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -218.276256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.276256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.276256 (E_RNA)
where:
Base-Base interactions energy: -76.273
where: short stacking energy: -62.414
Base-Backbone interact. energy: 2.414
local terms energy: -144.417126
where:
bonds (distance) C4'-P energy: -44.308
bonds (distance) P-C4' energy: -36.558
flat angles C4'-P-C4' energy: -31.707
flat angles P-C4'-P energy: -18.496
tors. eta vs tors. theta energy: -13.349
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: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -203.882108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.882108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.882108 (E_RNA)
where:
Base-Base interactions energy: -74.451
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.960
local terms energy: -128.471190
where:
bonds (distance) C4'-P energy: -35.844
bonds (distance) P-C4' energy: -32.931
flat angles C4'-P-C4' energy: -34.886
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -13.298
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: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -192.981084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.981084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.981084 (E_RNA)
where:
Base-Base interactions energy: -59.549
where: short stacking energy: -48.440
Base-Backbone interact. energy: -0.263
local terms energy: -133.169817
where:
bonds (distance) C4'-P energy: -46.070
bonds (distance) P-C4' energy: -28.405
flat angles C4'-P-C4' energy: -34.092
flat angles P-C4'-P energy: -20.839
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -649.323089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.323089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.323089 (E_RNA)
where:
Base-Base interactions energy: -425.017
where: short stacking energy: -197.907
Base-Backbone interact. energy: -1.053
local terms energy: -223.253444
where:
bonds (distance) C4'-P energy: -42.502
bonds (distance) P-C4' energy: -39.838
flat angles C4'-P-C4' energy: -46.637
flat angles P-C4'-P energy: -34.568
tors. eta vs tors. theta energy: -59.708
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: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -632.921212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.921212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.921212 (E_RNA)
where:
Base-Base interactions energy: -414.370
where: short stacking energy: -190.866
Base-Backbone interact. energy: 1.970
local terms energy: -220.521843
where:
bonds (distance) C4'-P energy: -39.643
bonds (distance) P-C4' energy: -43.504
flat angles C4'-P-C4' energy: -47.626
flat angles P-C4'-P energy: -30.633
tors. eta vs tors. theta energy: -59.115
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: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -591.352535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.352535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.352535 (E_RNA)
where:
Base-Base interactions energy: -379.329
where: short stacking energy: -179.524
Base-Backbone interact. energy: 0.506
local terms energy: -212.529451
where:
bonds (distance) C4'-P energy: -40.540
bonds (distance) P-C4' energy: -43.580
flat angles C4'-P-C4' energy: -47.428
flat angles P-C4'-P energy: -29.811
tors. eta vs tors. theta energy: -51.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -524.107377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.107377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.107377 (E_RNA)
where:
Base-Base interactions energy: -347.081
where: short stacking energy: -148.188
Base-Backbone interact. energy: 0.663
local terms energy: -177.689491
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -39.254
flat angles C4'-P-C4' energy: -46.220
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -32.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -453.907519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.907519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.907519 (E_RNA)
where:
Base-Base interactions energy: -272.346
where: short stacking energy: -117.503
Base-Backbone interact. energy: -0.467
local terms energy: -181.094697
where:
bonds (distance) C4'-P energy: -37.554
bonds (distance) P-C4' energy: -44.966
flat angles C4'-P-C4' energy: -47.648
flat angles P-C4'-P energy: -28.018
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -412.630081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.630081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.630081 (E_RNA)
where:
Base-Base interactions energy: -245.591
where: short stacking energy: -116.712
Base-Backbone interact. energy: 2.327
local terms energy: -169.365544
where:
bonds (distance) C4'-P energy: -31.917
bonds (distance) P-C4' energy: -41.515
flat angles C4'-P-C4' energy: -41.742
flat angles P-C4'-P energy: -26.197
tors. eta vs tors. theta energy: -27.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -294.611914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.611914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.611914 (E_RNA)
where:
Base-Base interactions energy: -158.096
where: short stacking energy: -87.604
Base-Backbone interact. energy: 0.485
local terms energy: -137.000988
where:
bonds (distance) C4'-P energy: -24.063
bonds (distance) P-C4' energy: -41.517
flat angles C4'-P-C4' energy: -36.058
flat angles P-C4'-P energy: -29.030
tors. eta vs tors. theta energy: -6.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -215.992391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.992391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.992391 (E_RNA)
where:
Base-Base interactions energy: -84.949
where: short stacking energy: -69.720
Base-Backbone interact. energy: 1.442
local terms energy: -132.484712
where:
bonds (distance) C4'-P energy: -34.079
bonds (distance) P-C4' energy: -42.962
flat angles C4'-P-C4' energy: -45.617
flat angles P-C4'-P energy: -16.194
tors. eta vs tors. theta energy: 6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -192.159050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.159050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.159050 (E_RNA)
where:
Base-Base interactions energy: -60.336
where: short stacking energy: -58.394
Base-Backbone interact. energy: -1.554
local terms energy: -130.268279
where:
bonds (distance) C4'-P energy: -38.700
bonds (distance) P-C4' energy: -34.128
flat angles C4'-P-C4' energy: -31.099
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -3.338
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: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -201.288112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.288112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.288112 (E_RNA)
where:
Base-Base interactions energy: -89.727
where: short stacking energy: -62.457
Base-Backbone interact. energy: 1.410
local terms energy: -112.971691
where:
bonds (distance) C4'-P energy: -30.872
bonds (distance) P-C4' energy: -36.909
flat angles C4'-P-C4' energy: -21.535
flat angles P-C4'-P energy: -19.719
tors. eta vs tors. theta energy: -3.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -633.222687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.222687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.222687 (E_RNA)
where:
Base-Base interactions energy: -407.498
where: short stacking energy: -187.185
Base-Backbone interact. energy: -0.505
local terms energy: -225.219906
where:
bonds (distance) C4'-P energy: -44.754
bonds (distance) P-C4' energy: -42.553
flat angles C4'-P-C4' energy: -51.093
flat angles P-C4'-P energy: -33.664
tors. eta vs tors. theta energy: -53.156
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: 2, replica: 5
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -653.166773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.166773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.166773 (E_RNA)
where:
Base-Base interactions energy: -426.861
where: short stacking energy: -202.438
Base-Backbone interact. energy: -1.368
local terms energy: -224.937691
where:
bonds (distance) C4'-P energy: -41.578
bonds (distance) P-C4' energy: -48.986
flat angles C4'-P-C4' energy: -39.925
flat angles P-C4'-P energy: -30.650
tors. eta vs tors. theta energy: -63.799
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: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -527.368266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.368266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.368266 (E_RNA)
where:
Base-Base interactions energy: -333.440
where: short stacking energy: -157.487
Base-Backbone interact. energy: -1.070
local terms energy: -192.858335
where:
bonds (distance) C4'-P energy: -41.492
bonds (distance) P-C4' energy: -45.711
flat angles C4'-P-C4' energy: -39.173
flat angles P-C4'-P energy: -28.511
tors. eta vs tors. theta energy: -37.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -579.810362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.810362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.810362 (E_RNA)
where:
Base-Base interactions energy: -369.253
where: short stacking energy: -163.842
Base-Backbone interact. energy: -1.024
local terms energy: -209.533677
where:
bonds (distance) C4'-P energy: -41.940
bonds (distance) P-C4' energy: -46.706
flat angles C4'-P-C4' energy: -43.144
flat angles P-C4'-P energy: -29.486
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: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -473.375445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.375445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.375445 (E_RNA)
where:
Base-Base interactions energy: -285.912
where: short stacking energy: -139.083
Base-Backbone interact. energy: -0.533
local terms energy: -186.930047
where:
bonds (distance) C4'-P energy: -42.101
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -45.685
flat angles P-C4'-P energy: -29.489
tors. eta vs tors. theta energy: -32.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -404.163864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.163864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.163864 (E_RNA)
where:
Base-Base interactions energy: -246.318
where: short stacking energy: -114.394
Base-Backbone interact. energy: 0.032
local terms energy: -157.877311
where:
bonds (distance) C4'-P energy: -33.269
bonds (distance) P-C4' energy: -40.023
flat angles C4'-P-C4' energy: -36.897
flat angles P-C4'-P energy: -30.207
tors. eta vs tors. theta energy: -17.482
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: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -317.405901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.405901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.405901 (E_RNA)
where:
Base-Base interactions energy: -157.723
where: short stacking energy: -98.082
Base-Backbone interact. energy: -0.636
local terms energy: -159.047348
where:
bonds (distance) C4'-P energy: -44.046
bonds (distance) P-C4' energy: -44.893
flat angles C4'-P-C4' energy: -36.455
flat angles P-C4'-P energy: -25.426
tors. eta vs tors. theta energy: -8.228
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: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -224.745958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.745958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.745958 (E_RNA)
where:
Base-Base interactions energy: -76.785
where: short stacking energy: -71.717
Base-Backbone interact. energy: -0.082
local terms energy: -147.879562
where:
bonds (distance) C4'-P energy: -38.900
bonds (distance) P-C4' energy: -42.047
flat angles C4'-P-C4' energy: -37.096
flat angles P-C4'-P energy: -24.001
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -194.158812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.158812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158812 (E_RNA)
where:
Base-Base interactions energy: -71.578
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.086
local terms energy: -122.495082
where:
bonds (distance) C4'-P energy: -36.881
bonds (distance) P-C4' energy: -35.465
flat angles C4'-P-C4' energy: -25.735
flat angles P-C4'-P energy: -24.542
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -195.451826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.451826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.451826 (E_RNA)
where:
Base-Base interactions energy: -74.688
where: short stacking energy: -48.936
Base-Backbone interact. energy: -0.920
local terms energy: -119.844096
where:
bonds (distance) C4'-P energy: -33.602
bonds (distance) P-C4' energy: -32.232
flat angles C4'-P-C4' energy: -30.570
flat angles P-C4'-P energy: -22.252
tors. eta vs tors. theta energy: -1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -638.483896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.483896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.483896 (E_RNA)
where:
Base-Base interactions energy: -406.607
where: short stacking energy: -197.071
Base-Backbone interact. energy: -0.569
local terms energy: -231.307472
where:
bonds (distance) C4'-P energy: -39.428
bonds (distance) P-C4' energy: -47.155
flat angles C4'-P-C4' energy: -46.838
flat angles P-C4'-P energy: -37.396
tors. eta vs tors. theta energy: -60.491
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: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -646.733633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.733633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.733633 (E_RNA)
where:
Base-Base interactions energy: -409.094
where: short stacking energy: -193.152
Base-Backbone interact. energy: -0.122
local terms energy: -237.517927
where:
bonds (distance) C4'-P energy: -45.452
bonds (distance) P-C4' energy: -49.820
flat angles C4'-P-C4' energy: -44.558
flat angles P-C4'-P energy: -35.512
tors. eta vs tors. theta energy: -62.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -536.198427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.198427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.198427 (E_RNA)
where:
Base-Base interactions energy: -331.936
where: short stacking energy: -154.211
Base-Backbone interact. energy: -0.830
local terms energy: -203.432528
where:
bonds (distance) C4'-P energy: -37.460
bonds (distance) P-C4' energy: -45.971
flat angles C4'-P-C4' energy: -43.647
flat angles P-C4'-P energy: -31.969
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: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -546.556703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.556703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.556703 (E_RNA)
where:
Base-Base interactions energy: -344.049
where: short stacking energy: -169.226
Base-Backbone interact. energy: -0.126
local terms energy: -202.381969
where:
bonds (distance) C4'-P energy: -45.162
bonds (distance) P-C4' energy: -46.547
flat angles C4'-P-C4' energy: -38.424
flat angles P-C4'-P energy: -24.830
tors. eta vs tors. theta energy: -47.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -462.671425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.671425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.671425 (E_RNA)
where:
Base-Base interactions energy: -275.490
where: short stacking energy: -125.895
Base-Backbone interact. energy: -0.932
local terms energy: -186.249461
where:
bonds (distance) C4'-P energy: -43.337
bonds (distance) P-C4' energy: -41.421
flat angles C4'-P-C4' energy: -38.489
flat angles P-C4'-P energy: -27.789
tors. eta vs tors. theta energy: -35.213
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: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -399.979917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.979917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.979917 (E_RNA)
where:
Base-Base interactions energy: -218.987
where: short stacking energy: -111.582
Base-Backbone interact. energy: -1.119
local terms energy: -179.873788
where:
bonds (distance) C4'-P energy: -41.310
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -38.902
flat angles P-C4'-P energy: -26.700
tors. eta vs tors. theta energy: -27.348
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: 199
Temperature: 1.200000
Total energy: -300.787031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.787031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.787031 (E_RNA)
where:
Base-Base interactions energy: -141.491
where: short stacking energy: -80.054
Base-Backbone interact. energy: 0.735
local terms energy: -160.031654
where:
bonds (distance) C4'-P energy: -39.434
bonds (distance) P-C4' energy: -42.164
flat angles C4'-P-C4' energy: -39.526
flat angles P-C4'-P energy: -32.606
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -201.869260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.869260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.869260 (E_RNA)
where:
Base-Base interactions energy: -73.513
where: short stacking energy: -68.450
Base-Backbone interact. energy: 0.204
local terms energy: -128.561119
where:
bonds (distance) C4'-P energy: -26.172
bonds (distance) P-C4' energy: -42.985
flat angles C4'-P-C4' energy: -39.644
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: 1.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -206.673947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.673947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.673947 (E_RNA)
where:
Base-Base interactions energy: -74.328
where: short stacking energy: -55.075
Base-Backbone interact. energy: -0.565
local terms energy: -131.781590
where:
bonds (distance) C4'-P energy: -38.305
bonds (distance) P-C4' energy: -39.338
flat angles C4'-P-C4' energy: -30.115
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -190.504984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.504984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.504984 (E_RNA)
where:
Base-Base interactions energy: -71.899
where: short stacking energy: -57.938
Base-Backbone interact. energy: 0.204
local terms energy: -118.809781
where:
bonds (distance) C4'-P energy: -32.825
bonds (distance) P-C4' energy: -34.234
flat angles C4'-P-C4' energy: -28.286
flat angles P-C4'-P energy: -21.757
tors. eta vs tors. theta energy: -1.708
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: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -649.979223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.979223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.979223 (E_RNA)
where:
Base-Base interactions energy: -422.226
where: short stacking energy: -196.772
Base-Backbone interact. energy: -0.137
local terms energy: -227.615654
where:
bonds (distance) C4'-P energy: -48.009
bonds (distance) P-C4' energy: -37.810
flat angles C4'-P-C4' energy: -46.631
flat angles P-C4'-P energy: -30.561
tors. eta vs tors. theta energy: -64.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -628.574524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.574524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.574524 (E_RNA)
where:
Base-Base interactions energy: -419.866
where: short stacking energy: -190.316
Base-Backbone interact. energy: 0.289
local terms energy: -208.997502
where:
bonds (distance) C4'-P energy: -44.776
bonds (distance) P-C4' energy: -41.770
flat angles C4'-P-C4' energy: -43.791
flat angles P-C4'-P energy: -30.459
tors. eta vs tors. theta energy: -48.202
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: 3, replica: 4
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -597.911073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.911073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.911073 (E_RNA)
where:
Base-Base interactions energy: -384.810
where: short stacking energy: -174.835
Base-Backbone interact. energy: -0.293
local terms energy: -212.808379
where:
bonds (distance) C4'-P energy: -40.024
bonds (distance) P-C4' energy: -39.766
flat angles C4'-P-C4' energy: -45.059
flat angles P-C4'-P energy: -36.218
tors. eta vs tors. theta energy: -51.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -522.645551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.645551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.645551 (E_RNA)
where:
Base-Base interactions energy: -315.232
where: short stacking energy: -138.077
Base-Backbone interact. energy: 0.387
local terms energy: -207.800125
where:
bonds (distance) C4'-P energy: -41.988
bonds (distance) P-C4' energy: -39.932
flat angles C4'-P-C4' energy: -51.023
flat angles P-C4'-P energy: -31.355
tors. eta vs tors. theta energy: -43.503
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: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -443.861954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.861954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.861954 (E_RNA)
where:
Base-Base interactions energy: -254.328
where: short stacking energy: -121.282
Base-Backbone interact. energy: 0.060
local terms energy: -189.594029
where:
bonds (distance) C4'-P energy: -37.887
bonds (distance) P-C4' energy: -44.291
flat angles C4'-P-C4' energy: -46.528
flat angles P-C4'-P energy: -22.689
tors. eta vs tors. theta energy: -38.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -416.969613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.969613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.969613 (E_RNA)
where:
Base-Base interactions energy: -244.392
where: short stacking energy: -124.476
Base-Backbone interact. energy: 0.014
local terms energy: -172.591776
where:
bonds (distance) C4'-P energy: -43.384
bonds (distance) P-C4' energy: -34.475
flat angles C4'-P-C4' energy: -44.708
flat angles P-C4'-P energy: -23.883
tors. eta vs tors. theta energy: -26.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -319.495482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.495482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.495482 (E_RNA)
where:
Base-Base interactions energy: -166.230
where: short stacking energy: -99.558
Base-Backbone interact. energy: -0.135
local terms energy: -153.130394
where:
bonds (distance) C4'-P energy: -35.246
bonds (distance) P-C4' energy: -36.331
flat angles C4'-P-C4' energy: -33.481
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -23.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -212.279139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.279139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.279139 (E_RNA)
where:
Base-Base interactions energy: -73.170
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.375
local terms energy: -138.734355
where:
bonds (distance) C4'-P energy: -34.317
bonds (distance) P-C4' energy: -44.951
flat angles C4'-P-C4' energy: -27.801
flat angles P-C4'-P energy: -28.975
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: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -206.425198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.425198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.425198 (E_RNA)
where:
Base-Base interactions energy: -68.607
where: short stacking energy: -59.445
Base-Backbone interact. energy: -0.353
local terms energy: -137.465174
where:
bonds (distance) C4'-P energy: -38.516
bonds (distance) P-C4' energy: -35.010
flat angles C4'-P-C4' energy: -33.806
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -172.716855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.716855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.716855 (E_RNA)
where:
Base-Base interactions energy: -59.757
where: short stacking energy: -55.374
Base-Backbone interact. energy: 1.631
local terms energy: -114.590925
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -38.780
flat angles C4'-P-C4' energy: -34.587
flat angles P-C4'-P energy: -19.294
tors. eta vs tors. theta energy: 3.326
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: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -658.655177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.655177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.655177 (E_RNA)
where:
Base-Base interactions energy: -434.842
where: short stacking energy: -199.621
Base-Backbone interact. energy: -0.120
local terms energy: -223.693542
where:
bonds (distance) C4'-P energy: -40.960
bonds (distance) P-C4' energy: -44.618
flat angles C4'-P-C4' energy: -48.622
flat angles P-C4'-P energy: -27.680
tors. eta vs tors. theta energy: -61.813
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: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -611.166028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.166028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.166028 (E_RNA)
where:
Base-Base interactions energy: -398.963
where: short stacking energy: -199.898
Base-Backbone interact. energy: 0.271
local terms energy: -212.473939
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -38.578
flat angles C4'-P-C4' energy: -47.728
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -57.023
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: 201
Temperature: 1.000000
Total energy: -598.561698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.561698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.561698 (E_RNA)
where:
Base-Base interactions energy: -404.481
where: short stacking energy: -179.925
Base-Backbone interact. energy: 0.279
local terms energy: -194.360020
where:
bonds (distance) C4'-P energy: -30.710
bonds (distance) P-C4' energy: -42.424
flat angles C4'-P-C4' energy: -44.161
flat angles P-C4'-P energy: -26.852
tors. eta vs tors. theta energy: -50.212
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: 4, replica: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -501.444519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.444519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.444519 (E_RNA)
where:
Base-Base interactions energy: -311.872
where: short stacking energy: -140.766
Base-Backbone interact. energy: -0.094
local terms energy: -189.478870
where:
bonds (distance) C4'-P energy: -33.216
bonds (distance) P-C4' energy: -45.633
flat angles C4'-P-C4' energy: -45.402
flat angles P-C4'-P energy: -27.651
tors. eta vs tors. theta energy: -37.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -441.660027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.660027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.660027 (E_RNA)
where:
Base-Base interactions energy: -248.909
where: short stacking energy: -131.316
Base-Backbone interact. energy: -0.366
local terms energy: -192.385368
where:
bonds (distance) C4'-P energy: -41.127
bonds (distance) P-C4' energy: -42.030
flat angles C4'-P-C4' energy: -44.774
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -40.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -470.089972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.089972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.089972 (E_RNA)
where:
Base-Base interactions energy: -287.920
where: short stacking energy: -126.926
Base-Backbone interact. energy: -1.125
local terms energy: -181.044604
where:
bonds (distance) C4'-P energy: -43.602
bonds (distance) P-C4' energy: -45.459
flat angles C4'-P-C4' energy: -40.402
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -29.653
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: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -323.611629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.611629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.611629 (E_RNA)
where:
Base-Base interactions energy: -159.842
where: short stacking energy: -75.073
Base-Backbone interact. energy: 0.166
local terms energy: -163.935362
where:
bonds (distance) C4'-P energy: -34.607
bonds (distance) P-C4' energy: -42.271
flat angles C4'-P-C4' energy: -43.148
flat angles P-C4'-P energy: -31.191
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -217.515942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.515942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.515942 (E_RNA)
where:
Base-Base interactions energy: -75.061
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.183
local terms energy: -142.271983
where:
bonds (distance) C4'-P energy: -40.790
bonds (distance) P-C4' energy: -40.008
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -6.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -190.003730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.003730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.003730 (E_RNA)
where:
Base-Base interactions energy: -74.295
where: short stacking energy: -59.928
Base-Backbone interact. energy: 3.165
local terms energy: -118.873155
where:
bonds (distance) C4'-P energy: -37.152
bonds (distance) P-C4' energy: -37.847
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -18.381
tors. eta vs tors. theta energy: 0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -174.110121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.110121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.110121 (E_RNA)
where:
Base-Base interactions energy: -73.680
where: short stacking energy: -55.875
Base-Backbone interact. energy: -0.036
local terms energy: -100.394302
where:
bonds (distance) C4'-P energy: -30.947
bonds (distance) P-C4' energy: -35.945
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -627.838014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.838014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.838014 (E_RNA)
where:
Base-Base interactions energy: -399.753
where: short stacking energy: -196.613
Base-Backbone interact. energy: -1.380
local terms energy: -226.705271
where:
bonds (distance) C4'-P energy: -45.336
bonds (distance) P-C4' energy: -48.069
flat angles C4'-P-C4' energy: -40.405
flat angles P-C4'-P energy: -37.271
tors. eta vs tors. theta energy: -55.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -644.245827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.245827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.245827 (E_RNA)
where:
Base-Base interactions energy: -416.757
where: short stacking energy: -200.777
Base-Backbone interact. energy: -0.497
local terms energy: -226.992039
where:
bonds (distance) C4'-P energy: -36.291
bonds (distance) P-C4' energy: -48.306
flat angles C4'-P-C4' energy: -49.884
flat angles P-C4'-P energy: -30.293
tors. eta vs tors. theta energy: -62.218
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: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -580.118872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.118872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.118872 (E_RNA)
where:
Base-Base interactions energy: -391.188
where: short stacking energy: -166.171
Base-Backbone interact. energy: -0.508
local terms energy: -188.423540
where:
bonds (distance) C4'-P energy: -44.444
bonds (distance) P-C4' energy: -33.791
flat angles C4'-P-C4' energy: -40.394
flat angles P-C4'-P energy: -28.449
tors. eta vs tors. theta energy: -41.347
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: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -494.194234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.194234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.194234 (E_RNA)
where:
Base-Base interactions energy: -311.531
where: short stacking energy: -146.250
Base-Backbone interact. energy: -0.267
local terms energy: -182.396481
where:
bonds (distance) C4'-P energy: -48.548
bonds (distance) P-C4' energy: -38.956
flat angles C4'-P-C4' energy: -46.488
flat angles P-C4'-P energy: -15.916
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: 5, replica: 7
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -492.745237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.745237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.745237 (E_RNA)
where:
Base-Base interactions energy: -300.596
where: short stacking energy: -136.567
Base-Backbone interact. energy: -0.584
local terms energy: -191.565367
where:
bonds (distance) C4'-P energy: -36.534
bonds (distance) P-C4' energy: -39.764
flat angles C4'-P-C4' energy: -44.548
flat angles P-C4'-P energy: -33.305
tors. eta vs tors. theta energy: -37.414
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: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -372.558668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.558668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.558668 (E_RNA)
where:
Base-Base interactions energy: -221.212
where: short stacking energy: -106.104
Base-Backbone interact. energy: -0.006
local terms energy: -151.340664
where:
bonds (distance) C4'-P energy: -37.062
bonds (distance) P-C4' energy: -37.602
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -317.329662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.329662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.329662 (E_RNA)
where:
Base-Base interactions energy: -183.975
where: short stacking energy: -103.311
Base-Backbone interact. energy: -0.768
local terms energy: -132.586006
where:
bonds (distance) C4'-P energy: -29.576
bonds (distance) P-C4' energy: -33.083
flat angles C4'-P-C4' energy: -31.652
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -240.501327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.501327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.501327 (E_RNA)
where:
Base-Base interactions energy: -106.343
where: short stacking energy: -83.405
Base-Backbone interact. energy: 0.571
local terms energy: -134.729290
where:
bonds (distance) C4'-P energy: -41.895
bonds (distance) P-C4' energy: -34.451
flat angles C4'-P-C4' energy: -35.446
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: 0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -209.444538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.444538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.444538 (E_RNA)
where:
Base-Base interactions energy: -82.290
where: short stacking energy: -76.265
Base-Backbone interact. energy: 1.436
local terms energy: -128.590720
where:
bonds (distance) C4'-P energy: -30.832
bonds (distance) P-C4' energy: -43.536
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -182.871436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.871436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.871436 (E_RNA)
where:
Base-Base interactions energy: -64.489
where: short stacking energy: -54.095
Base-Backbone interact. energy: -0.312
local terms energy: -118.070176
where:
bonds (distance) C4'-P energy: -32.417
bonds (distance) P-C4' energy: -36.901
flat angles C4'-P-C4' energy: -36.697
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: 4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -632.567356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.567356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.567356 (E_RNA)
where:
Base-Base interactions energy: -395.784
where: short stacking energy: -187.972
Base-Backbone interact. energy: -1.837
local terms energy: -234.946286
where:
bonds (distance) C4'-P energy: -43.586
bonds (distance) P-C4' energy: -50.832
flat angles C4'-P-C4' energy: -46.532
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -57.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -646.676873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.676873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.676873 (E_RNA)
where:
Base-Base interactions energy: -418.648
where: short stacking energy: -195.205
Base-Backbone interact. energy: 0.014
local terms energy: -228.042424
where:
bonds (distance) C4'-P energy: -45.061
bonds (distance) P-C4' energy: -42.045
flat angles C4'-P-C4' energy: -45.839
flat angles P-C4'-P energy: -31.716
tors. eta vs tors. theta energy: -63.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -593.986587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.986587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.986587 (E_RNA)
where:
Base-Base interactions energy: -395.524
where: short stacking energy: -178.374
Base-Backbone interact. energy: -0.374
local terms energy: -198.087915
where:
bonds (distance) C4'-P energy: -33.632
bonds (distance) P-C4' energy: -39.099
flat angles C4'-P-C4' energy: -43.159
flat angles P-C4'-P energy: -35.641
tors. eta vs tors. theta energy: -46.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -467.562236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.562236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.562236 (E_RNA)
where:
Base-Base interactions energy: -279.607
where: short stacking energy: -141.115
Base-Backbone interact. energy: -0.786
local terms energy: -187.168275
where:
bonds (distance) C4'-P energy: -40.149
bonds (distance) P-C4' energy: -37.251
flat angles C4'-P-C4' energy: -38.012
flat angles P-C4'-P energy: -34.607
tors. eta vs tors. theta energy: -37.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -479.397735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.397735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.397735 (E_RNA)
where:
Base-Base interactions energy: -301.102
where: short stacking energy: -125.362
Base-Backbone interact. energy: 0.351
local terms energy: -178.646059
where:
bonds (distance) C4'-P energy: -44.002
bonds (distance) P-C4' energy: -42.780
flat angles C4'-P-C4' energy: -34.993
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -28.322
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: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -382.319646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.319646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.319646 (E_RNA)
where:
Base-Base interactions energy: -207.871
where: short stacking energy: -108.855
Base-Backbone interact. energy: -0.660
local terms energy: -173.788265
where:
bonds (distance) C4'-P energy: -40.214
bonds (distance) P-C4' energy: -33.010
flat angles C4'-P-C4' energy: -45.719
flat angles P-C4'-P energy: -34.024
tors. eta vs tors. theta energy: -20.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -309.963350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.963350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.963350 (E_RNA)
where:
Base-Base interactions energy: -162.021
where: short stacking energy: -93.197
Base-Backbone interact. energy: -1.072
local terms energy: -146.870559
where:
bonds (distance) C4'-P energy: -31.643
bonds (distance) P-C4' energy: -33.716
flat angles C4'-P-C4' energy: -41.939
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -216.940143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.940143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.940143 (E_RNA)
where:
Base-Base interactions energy: -98.670
where: short stacking energy: -68.773
Base-Backbone interact. energy: -1.196
local terms energy: -117.074310
where:
bonds (distance) C4'-P energy: -45.865
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -24.824
flat angles P-C4'-P energy: -12.160
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: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -242.914314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.914314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.914314 (E_RNA)
where:
Base-Base interactions energy: -88.819
where: short stacking energy: -75.364
Base-Backbone interact. energy: 1.621
local terms energy: -155.716528
where:
bonds (distance) C4'-P energy: -48.086
bonds (distance) P-C4' energy: -41.592
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -27.855
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -198.660760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.660760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.660760 (E_RNA)
where:
Base-Base interactions energy: -71.860
where: short stacking energy: -61.275
Base-Backbone interact. energy: 1.966
local terms energy: -128.766425
where:
bonds (distance) C4'-P energy: -35.478
bonds (distance) P-C4' energy: -38.656
flat angles C4'-P-C4' energy: -31.714
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -655.003344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.003344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.003344 (E_RNA)
where:
Base-Base interactions energy: -426.465
where: short stacking energy: -198.811
Base-Backbone interact. energy: -0.392
local terms energy: -228.146477
where:
bonds (distance) C4'-P energy: -47.279
bonds (distance) P-C4' energy: -44.573
flat angles C4'-P-C4' energy: -46.260
flat angles P-C4'-P energy: -32.586
tors. eta vs tors. theta energy: -57.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -611.062864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.062864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.062864 (E_RNA)
where:
Base-Base interactions energy: -394.502
where: short stacking energy: -198.010
Base-Backbone interact. energy: -0.020
local terms energy: -216.540510
where:
bonds (distance) C4'-P energy: -42.110
bonds (distance) P-C4' energy: -36.337
flat angles C4'-P-C4' energy: -46.209
flat angles P-C4'-P energy: -34.969
tors. eta vs tors. theta energy: -56.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -573.190538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.190538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.190538 (E_RNA)
where:
Base-Base interactions energy: -375.408
where: short stacking energy: -155.341
Base-Backbone interact. energy: -0.060
local terms energy: -197.722791
where:
bonds (distance) C4'-P energy: -29.572
bonds (distance) P-C4' energy: -47.925
flat angles C4'-P-C4' energy: -48.538
flat angles P-C4'-P energy: -32.062
tors. eta vs tors. theta energy: -39.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -488.199811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.199811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.199811 (E_RNA)
where:
Base-Base interactions energy: -292.049
where: short stacking energy: -141.142
Base-Backbone interact. energy: -0.906
local terms energy: -195.244614
where:
bonds (distance) C4'-P energy: -43.682
bonds (distance) P-C4' energy: -45.688
flat angles C4'-P-C4' energy: -39.551
flat angles P-C4'-P energy: -25.253
tors. eta vs tors. theta energy: -41.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -441.773021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.773021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.773021 (E_RNA)
where:
Base-Base interactions energy: -259.644
where: short stacking energy: -118.668
Base-Backbone interact. energy: 1.627
local terms energy: -183.756176
where:
bonds (distance) C4'-P energy: -41.241
bonds (distance) P-C4' energy: -33.785
flat angles C4'-P-C4' energy: -42.236
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -32.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -410.574109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.574109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.574109 (E_RNA)
where:
Base-Base interactions energy: -241.269
where: short stacking energy: -111.768
Base-Backbone interact. energy: 0.652
local terms energy: -169.956583
where:
bonds (distance) C4'-P energy: -37.462
bonds (distance) P-C4' energy: -45.629
flat angles C4'-P-C4' energy: -42.825
flat angles P-C4'-P energy: -26.522
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -360.698198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.698198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.698198 (E_RNA)
where:
Base-Base interactions energy: -205.806
where: short stacking energy: -108.972
Base-Backbone interact. energy: 0.765
local terms energy: -155.658048
where:
bonds (distance) C4'-P energy: -40.109
bonds (distance) P-C4' energy: -42.413
flat angles C4'-P-C4' energy: -31.125
flat angles P-C4'-P energy: -23.741
tors. eta vs tors. theta energy: -18.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -236.309420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.309420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.309420 (E_RNA)
where:
Base-Base interactions energy: -100.931
where: short stacking energy: -86.124
Base-Backbone interact. energy: -1.251
local terms energy: -134.126584
where:
bonds (distance) C4'-P energy: -41.146
bonds (distance) P-C4' energy: -41.238
flat angles C4'-P-C4' energy: -24.961
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -9.043
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: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -200.316274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.316274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.316274 (E_RNA)
where:
Base-Base interactions energy: -74.184
where: short stacking energy: -57.538
Base-Backbone interact. energy: -0.746
local terms energy: -125.386182
where:
bonds (distance) C4'-P energy: -32.773
bonds (distance) P-C4' energy: -37.792
flat angles C4'-P-C4' energy: -31.648
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -7.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -169.346494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.346494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.346494 (E_RNA)
where:
Base-Base interactions energy: -57.139
where: short stacking energy: -50.459
Base-Backbone interact. energy: 4.725
local terms energy: -116.932569
where:
bonds (distance) C4'-P energy: -33.223
bonds (distance) P-C4' energy: -40.558
flat angles C4'-P-C4' energy: -27.528
flat angles P-C4'-P energy: -26.815
tors. eta vs tors. theta energy: 11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -660.370745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.370745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.370745 (E_RNA)
where:
Base-Base interactions energy: -430.949
where: short stacking energy: -199.586
Base-Backbone interact. energy: -0.203
local terms energy: -229.218443
where:
bonds (distance) C4'-P energy: -45.724
bonds (distance) P-C4' energy: -45.945
flat angles C4'-P-C4' energy: -47.335
flat angles P-C4'-P energy: -35.593
tors. eta vs tors. theta energy: -54.621
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: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -613.965670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.965670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.965670 (E_RNA)
where:
Base-Base interactions energy: -394.386
where: short stacking energy: -203.252
Base-Backbone interact. energy: -0.104
local terms energy: -219.476434
where:
bonds (distance) C4'-P energy: -35.292
bonds (distance) P-C4' energy: -42.490
flat angles C4'-P-C4' energy: -48.776
flat angles P-C4'-P energy: -32.022
tors. eta vs tors. theta energy: -60.897
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: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -594.053190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.053190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.053190 (E_RNA)
where:
Base-Base interactions energy: -379.775
where: short stacking energy: -186.054
Base-Backbone interact. energy: -0.743
local terms energy: -213.535839
where:
bonds (distance) C4'-P energy: -42.645
bonds (distance) P-C4' energy: -45.407
flat angles C4'-P-C4' energy: -41.485
flat angles P-C4'-P energy: -34.125
tors. eta vs tors. theta energy: -49.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -485.070051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.070051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.070051 (E_RNA)
where:
Base-Base interactions energy: -290.331
where: short stacking energy: -145.376
Base-Backbone interact. energy: 2.800
local terms energy: -197.538927
where:
bonds (distance) C4'-P energy: -43.645
bonds (distance) P-C4' energy: -40.137
flat angles C4'-P-C4' energy: -50.296
flat angles P-C4'-P energy: -23.598
tors. eta vs tors. theta energy: -39.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -466.818866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.818866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.818866 (E_RNA)
where:
Base-Base interactions energy: -280.592
where: short stacking energy: -140.099
Base-Backbone interact. energy: -1.179
local terms energy: -185.048460
where:
bonds (distance) C4'-P energy: -36.816
bonds (distance) P-C4' energy: -38.969
flat angles C4'-P-C4' energy: -44.702
flat angles P-C4'-P energy: -29.522
tors. eta vs tors. theta energy: -35.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -381.979733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.979733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.979733 (E_RNA)
where:
Base-Base interactions energy: -228.626
where: short stacking energy: -107.365
Base-Backbone interact. energy: -0.661
local terms energy: -152.693478
where:
bonds (distance) C4'-P energy: -40.140
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -34.929
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -368.302371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.302371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.302371 (E_RNA)
where:
Base-Base interactions energy: -211.367
where: short stacking energy: -115.232
Base-Backbone interact. energy: 0.287
local terms energy: -157.222878
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -41.689
flat angles C4'-P-C4' energy: -35.537
flat angles P-C4'-P energy: -29.258
tors. eta vs tors. theta energy: -22.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -209.751094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.751094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.751094 (E_RNA)
where:
Base-Base interactions energy: -71.411
where: short stacking energy: -65.888
Base-Backbone interact. energy: -0.460
local terms energy: -137.880562
where:
bonds (distance) C4'-P energy: -31.533
bonds (distance) P-C4' energy: -39.999
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -25.661
tors. eta vs tors. theta energy: -6.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -186.426564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.426564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.426564 (E_RNA)
where:
Base-Base interactions energy: -71.394
where: short stacking energy: -64.233
Base-Backbone interact. energy: -0.808
local terms energy: -114.224781
where:
bonds (distance) C4'-P energy: -23.203
bonds (distance) P-C4' energy: -40.452
flat angles C4'-P-C4' energy: -32.484
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -177.262256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.262256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.262256 (E_RNA)
where:
Base-Base interactions energy: -61.514
where: short stacking energy: -44.405
Base-Backbone interact. energy: 0.441
local terms energy: -116.189214
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -33.151
flat angles C4'-P-C4' energy: -34.652
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: 0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -656.317309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.317309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.317309 (E_RNA)
where:
Base-Base interactions energy: -419.229
where: short stacking energy: -199.858
Base-Backbone interact. energy: -1.378
local terms energy: -235.710244
where:
bonds (distance) C4'-P energy: -43.200
bonds (distance) P-C4' energy: -49.274
flat angles C4'-P-C4' energy: -47.144
flat angles P-C4'-P energy: -38.456
tors. eta vs tors. theta energy: -57.636
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: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -596.114526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.114526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.114526 (E_RNA)
where:
Base-Base interactions energy: -375.877
where: short stacking energy: -196.735
Base-Backbone interact. energy: -0.033
local terms energy: -220.203908
where:
bonds (distance) C4'-P energy: -43.102
bonds (distance) P-C4' energy: -43.376
flat angles C4'-P-C4' energy: -45.371
flat angles P-C4'-P energy: -28.363
tors. eta vs tors. theta energy: -59.991
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: 206
Temperature: 1.000000
Total energy: -602.260260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.260260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.260260 (E_RNA)
where:
Base-Base interactions energy: -399.701
where: short stacking energy: -174.299
Base-Backbone interact. energy: 2.143
local terms energy: -204.702573
where:
bonds (distance) C4'-P energy: -39.407
bonds (distance) P-C4' energy: -37.337
flat angles C4'-P-C4' energy: -45.890
flat angles P-C4'-P energy: -32.853
tors. eta vs tors. theta energy: -49.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -480.717831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.717831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.717831 (E_RNA)
where:
Base-Base interactions energy: -292.740
where: short stacking energy: -158.111
Base-Backbone interact. energy: -0.393
local terms energy: -187.585160
where:
bonds (distance) C4'-P energy: -39.406
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -43.340
flat angles P-C4'-P energy: -31.322
tors. eta vs tors. theta energy: -41.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -467.716563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.716563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.716563 (E_RNA)
where:
Base-Base interactions energy: -289.035
where: short stacking energy: -143.684
Base-Backbone interact. energy: 0.613
local terms energy: -179.294188
where:
bonds (distance) C4'-P energy: -40.417
bonds (distance) P-C4' energy: -41.737
flat angles C4'-P-C4' energy: -44.581
flat angles P-C4'-P energy: -22.612
tors. eta vs tors. theta energy: -29.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -368.302122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.302122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.302122 (E_RNA)
where:
Base-Base interactions energy: -196.497
where: short stacking energy: -116.749
Base-Backbone interact. energy: -0.163
local terms energy: -171.641844
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -39.701
flat angles C4'-P-C4' energy: -44.408
flat angles P-C4'-P energy: -31.885
tors. eta vs tors. theta energy: -28.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -348.058629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.058629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.058629 (E_RNA)
where:
Base-Base interactions energy: -211.678
where: short stacking energy: -120.944
Base-Backbone interact. energy: -0.213
local terms energy: -136.166697
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -35.686
flat angles C4'-P-C4' energy: -35.422
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -34.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -211.937731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.937731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.937731 (E_RNA)
where:
Base-Base interactions energy: -75.547
where: short stacking energy: -73.833
Base-Backbone interact. energy: 0.018
local terms energy: -136.409039
where:
bonds (distance) C4'-P energy: -36.805
bonds (distance) P-C4' energy: -35.418
flat angles C4'-P-C4' energy: -36.618
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: -6.339
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: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -236.732970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.732970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.732970 (E_RNA)
where:
Base-Base interactions energy: -102.451
where: short stacking energy: -57.037
Base-Backbone interact. energy: 0.737
local terms energy: -135.019688
where:
bonds (distance) C4'-P energy: -35.739
bonds (distance) P-C4' energy: -38.075
flat angles C4'-P-C4' energy: -38.427
flat angles P-C4'-P energy: -22.766
tors. eta vs tors. theta energy: -0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -194.401601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.401601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.401601 (E_RNA)
where:
Base-Base interactions energy: -64.308
where: short stacking energy: -46.702
Base-Backbone interact. energy: -0.661
local terms energy: -129.432919
where:
bonds (distance) C4'-P energy: -34.310
bonds (distance) P-C4' energy: -46.175
flat angles C4'-P-C4' energy: -27.673
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: 7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -648.486444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.486444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.486444 (E_RNA)
where:
Base-Base interactions energy: -426.686
where: short stacking energy: -198.895
Base-Backbone interact. energy: -0.659
local terms energy: -221.141323
where:
bonds (distance) C4'-P energy: -40.544
bonds (distance) P-C4' energy: -43.032
flat angles C4'-P-C4' energy: -48.730
flat angles P-C4'-P energy: -34.354
tors. eta vs tors. theta energy: -54.481
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: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -588.428932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.428932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.428932 (E_RNA)
where:
Base-Base interactions energy: -378.446
where: short stacking energy: -190.936
Base-Backbone interact. energy: -0.224
local terms energy: -209.758843
where:
bonds (distance) C4'-P energy: -38.064
bonds (distance) P-C4' energy: -35.527
flat angles C4'-P-C4' energy: -52.182
flat angles P-C4'-P energy: -27.674
tors. eta vs tors. theta energy: -56.313
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: 207
Temperature: 1.000000
Total energy: -585.963842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.963842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.963842 (E_RNA)
where:
Base-Base interactions energy: -378.659
where: short stacking energy: -178.168
Base-Backbone interact. energy: 0.091
local terms energy: -207.396219
where:
bonds (distance) C4'-P energy: -41.390
bonds (distance) P-C4' energy: -38.609
flat angles C4'-P-C4' energy: -44.918
flat angles P-C4'-P energy: -36.689
tors. eta vs tors. theta energy: -45.790
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: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -501.896460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.896460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.896460 (E_RNA)
where:
Base-Base interactions energy: -316.549
where: short stacking energy: -163.462
Base-Backbone interact. energy: 0.171
local terms energy: -185.518419
where:
bonds (distance) C4'-P energy: -32.477
bonds (distance) P-C4' energy: -42.651
flat angles C4'-P-C4' energy: -44.703
flat angles P-C4'-P energy: -26.309
tors. eta vs tors. theta energy: -39.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -458.888965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.888965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.888965 (E_RNA)
where:
Base-Base interactions energy: -282.699
where: short stacking energy: -136.445
Base-Backbone interact. energy: -0.412
local terms energy: -175.778360
where:
bonds (distance) C4'-P energy: -30.096
bonds (distance) P-C4' energy: -41.309
flat angles C4'-P-C4' energy: -40.989
flat angles P-C4'-P energy: -31.942
tors. eta vs tors. theta energy: -31.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -369.179841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.179841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.179841 (E_RNA)
where:
Base-Base interactions energy: -195.599
where: short stacking energy: -107.461
Base-Backbone interact. energy: -0.760
local terms energy: -172.820661
where:
bonds (distance) C4'-P energy: -41.724
bonds (distance) P-C4' energy: -35.297
flat angles C4'-P-C4' energy: -42.598
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -33.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -350.150274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.150274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.150274 (E_RNA)
where:
Base-Base interactions energy: -198.690
where: short stacking energy: -92.675
Base-Backbone interact. energy: -1.785
local terms energy: -149.675802
where:
bonds (distance) C4'-P energy: -34.437
bonds (distance) P-C4' energy: -44.850
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -22.399
tors. eta vs tors. theta energy: -23.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -262.132579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.132579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.132579 (E_RNA)
where:
Base-Base interactions energy: -138.685
where: short stacking energy: -81.725
Base-Backbone interact. energy: 1.093
local terms energy: -124.541228
where:
bonds (distance) C4'-P energy: -35.720
bonds (distance) P-C4' energy: -39.806
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -7.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -186.664064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.664064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.664064 (E_RNA)
where:
Base-Base interactions energy: -68.823
where: short stacking energy: -55.312
Base-Backbone interact. energy: -1.286
local terms energy: -116.555569
where:
bonds (distance) C4'-P energy: -26.856
bonds (distance) P-C4' energy: -39.613
flat angles C4'-P-C4' energy: -39.431
flat angles P-C4'-P energy: -20.220
tors. eta vs tors. theta energy: 9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -179.171868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.171868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.171868 (E_RNA)
where:
Base-Base interactions energy: -70.817
where: short stacking energy: -56.172
Base-Backbone interact. energy: 0.615
local terms energy: -108.969634
where:
bonds (distance) C4'-P energy: -41.131
bonds (distance) P-C4' energy: -37.768
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -19.216
tors. eta vs tors. theta energy: 10.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -625.779061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.779061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.779061 (E_RNA)
where:
Base-Base interactions energy: -397.577
where: short stacking energy: -202.512
Base-Backbone interact. energy: 1.087
local terms energy: -229.288719
where:
bonds (distance) C4'-P energy: -39.188
bonds (distance) P-C4' energy: -48.388
flat angles C4'-P-C4' energy: -49.813
flat angles P-C4'-P energy: -35.158
tors. eta vs tors. theta energy: -56.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -647.838125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.838125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.838125 (E_RNA)
where:
Base-Base interactions energy: -432.211
where: short stacking energy: -196.202
Base-Backbone interact. energy: 0.788
local terms energy: -216.415041
where:
bonds (distance) C4'-P energy: -45.642
bonds (distance) P-C4' energy: -40.262
flat angles C4'-P-C4' energy: -49.697
flat angles P-C4'-P energy: -27.584
tors. eta vs tors. theta energy: -53.231
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: 208
Temperature: 1.000000
Total energy: -591.693857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.693857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.693857 (E_RNA)
where:
Base-Base interactions energy: -387.531
where: short stacking energy: -188.363
Base-Backbone interact. energy: -0.188
local terms energy: -203.974626
where:
bonds (distance) C4'-P energy: -42.905
bonds (distance) P-C4' energy: -42.004
flat angles C4'-P-C4' energy: -41.711
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -54.699
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: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -486.928529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.928529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.928529 (E_RNA)
where:
Base-Base interactions energy: -300.990
where: short stacking energy: -121.226
Base-Backbone interact. energy: -0.441
local terms energy: -185.497229
where:
bonds (distance) C4'-P energy: -41.434
bonds (distance) P-C4' energy: -43.898
flat angles C4'-P-C4' energy: -39.422
flat angles P-C4'-P energy: -29.855
tors. eta vs tors. theta energy: -30.888
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: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -460.043048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.043048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.043048 (E_RNA)
where:
Base-Base interactions energy: -274.518
where: short stacking energy: -140.356
Base-Backbone interact. energy: -1.127
local terms energy: -184.398008
where:
bonds (distance) C4'-P energy: -38.565
bonds (distance) P-C4' energy: -42.677
flat angles C4'-P-C4' energy: -35.025
flat angles P-C4'-P energy: -32.589
tors. eta vs tors. theta energy: -35.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -370.090301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.090301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.090301 (E_RNA)
where:
Base-Base interactions energy: -201.881
where: short stacking energy: -104.113
Base-Backbone interact. energy: -0.325
local terms energy: -167.884867
where:
bonds (distance) C4'-P energy: -40.126
bonds (distance) P-C4' energy: -35.047
flat angles C4'-P-C4' energy: -41.518
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -24.654
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: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -334.974880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.974880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.974880 (E_RNA)
where:
Base-Base interactions energy: -187.651
where: short stacking energy: -94.348
Base-Backbone interact. energy: -0.775
local terms energy: -146.549294
where:
bonds (distance) C4'-P energy: -31.754
bonds (distance) P-C4' energy: -35.713
flat angles C4'-P-C4' energy: -38.540
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -17.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -268.613150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.613150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.613150 (E_RNA)
where:
Base-Base interactions energy: -141.165
where: short stacking energy: -74.796
Base-Backbone interact. energy: 1.642
local terms energy: -129.089962
where:
bonds (distance) C4'-P energy: -32.181
bonds (distance) P-C4' energy: -38.391
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -25.838
tors. eta vs tors. theta energy: -5.831
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: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -188.320009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.320009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.320009 (E_RNA)
where:
Base-Base interactions energy: -61.753
where: short stacking energy: -50.211
Base-Backbone interact. energy: 1.646
local terms energy: -128.213680
where:
bonds (distance) C4'-P energy: -33.133
bonds (distance) P-C4' energy: -35.623
flat angles C4'-P-C4' energy: -36.513
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: 2.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -179.721147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.721147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.721147 (E_RNA)
where:
Base-Base interactions energy: -51.891
where: short stacking energy: -50.251
Base-Backbone interact. energy: -1.492
local terms energy: -126.338005
where:
bonds (distance) C4'-P energy: -33.266
bonds (distance) P-C4' energy: -40.916
flat angles C4'-P-C4' energy: -41.841
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: 6.887
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: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -618.121591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.121591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.121591 (E_RNA)
where:
Base-Base interactions energy: -390.228
where: short stacking energy: -190.328
Base-Backbone interact. energy: -0.177
local terms energy: -227.717004
where:
bonds (distance) C4'-P energy: -44.893
bonds (distance) P-C4' energy: -47.303
flat angles C4'-P-C4' energy: -52.263
flat angles P-C4'-P energy: -25.800
tors. eta vs tors. theta energy: -57.458
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: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -619.699843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.699843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.699843 (E_RNA)
where:
Base-Base interactions energy: -414.871
where: short stacking energy: -193.202
Base-Backbone interact. energy: -0.144
local terms energy: -204.684958
where:
bonds (distance) C4'-P energy: -42.605
bonds (distance) P-C4' energy: -39.309
flat angles C4'-P-C4' energy: -46.523
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -48.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -583.272452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.272452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.272452 (E_RNA)
where:
Base-Base interactions energy: -378.719
where: short stacking energy: -167.966
Base-Backbone interact. energy: -0.567
local terms energy: -203.986421
where:
bonds (distance) C4'-P energy: -43.957
bonds (distance) P-C4' energy: -44.943
flat angles C4'-P-C4' energy: -44.034
flat angles P-C4'-P energy: -30.004
tors. eta vs tors. theta energy: -41.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -520.968248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.968248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.968248 (E_RNA)
where:
Base-Base interactions energy: -333.532
where: short stacking energy: -151.976
Base-Backbone interact. energy: -0.898
local terms energy: -186.538430
where:
bonds (distance) C4'-P energy: -44.617
bonds (distance) P-C4' energy: -35.186
flat angles C4'-P-C4' energy: -39.560
flat angles P-C4'-P energy: -28.266
tors. eta vs tors. theta energy: -38.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -468.974104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.974104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.974104 (E_RNA)
where:
Base-Base interactions energy: -271.773
where: short stacking energy: -122.654
Base-Backbone interact. energy: -0.805
local terms energy: -196.396844
where:
bonds (distance) C4'-P energy: -42.084
bonds (distance) P-C4' energy: -46.255
flat angles C4'-P-C4' energy: -49.364
flat angles P-C4'-P energy: -22.599
tors. eta vs tors. theta energy: -36.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -363.585201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.585201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.585201 (E_RNA)
where:
Base-Base interactions energy: -213.062
where: short stacking energy: -120.380
Base-Backbone interact. energy: -0.750
local terms energy: -149.772984
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -39.965
flat angles C4'-P-C4' energy: -41.021
flat angles P-C4'-P energy: -18.797
tors. eta vs tors. theta energy: -24.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -393.654917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.654917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.654917 (E_RNA)
where:
Base-Base interactions energy: -225.174
where: short stacking energy: -125.902
Base-Backbone interact. energy: -0.712
local terms energy: -167.769264
where:
bonds (distance) C4'-P energy: -38.781
bonds (distance) P-C4' energy: -41.001
flat angles C4'-P-C4' energy: -39.892
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -32.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -268.071721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.071721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.071721 (E_RNA)
where:
Base-Base interactions energy: -135.751
where: short stacking energy: -87.916
Base-Backbone interact. energy: -1.402
local terms energy: -130.918178
where:
bonds (distance) C4'-P energy: -28.890
bonds (distance) P-C4' energy: -39.865
flat angles C4'-P-C4' energy: -31.945
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -7.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -219.456230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.456230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.456230 (E_RNA)
where:
Base-Base interactions energy: -79.406
where: short stacking energy: -79.384
Base-Backbone interact. energy: -0.282
local terms energy: -139.767778
where:
bonds (distance) C4'-P energy: -34.218
bonds (distance) P-C4' energy: -35.911
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -27.391
tors. eta vs tors. theta energy: -11.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -177.265967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.265967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.265967 (E_RNA)
where:
Base-Base interactions energy: -68.250
where: short stacking energy: -48.609
Base-Backbone interact. energy: 4.329
local terms energy: -113.344226
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -38.360
flat angles C4'-P-C4' energy: -33.608
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -0.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -648.109366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.109366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.109366 (E_RNA)
where:
Base-Base interactions energy: -426.577
where: short stacking energy: -208.862
Base-Backbone interact. energy: -0.098
local terms energy: -221.434010
where:
bonds (distance) C4'-P energy: -47.298
bonds (distance) P-C4' energy: -42.561
flat angles C4'-P-C4' energy: -45.626
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -61.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -611.440602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.440602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.440602 (E_RNA)
where:
Base-Base interactions energy: -388.661
where: short stacking energy: -200.298
Base-Backbone interact. energy: -2.923
local terms energy: -219.856512
where:
bonds (distance) C4'-P energy: -44.799
bonds (distance) P-C4' energy: -39.419
flat angles C4'-P-C4' energy: -49.091
flat angles P-C4'-P energy: -27.778
tors. eta vs tors. theta energy: -58.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -577.997010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.997010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.997010 (E_RNA)
where:
Base-Base interactions energy: -378.440
where: short stacking energy: -160.763
Base-Backbone interact. energy: -1.463
local terms energy: -198.094373
where:
bonds (distance) C4'-P energy: -39.121
bonds (distance) P-C4' energy: -38.611
flat angles C4'-P-C4' energy: -49.080
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -43.492
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: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -518.042245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.042245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.042245 (E_RNA)
where:
Base-Base interactions energy: -346.369
where: short stacking energy: -167.226
Base-Backbone interact. energy: -0.438
local terms energy: -171.235252
where:
bonds (distance) C4'-P energy: -38.276
bonds (distance) P-C4' energy: -35.207
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -23.708
tors. eta vs tors. theta energy: -39.540
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: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -453.842310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.842310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.842310 (E_RNA)
where:
Base-Base interactions energy: -267.830
where: short stacking energy: -128.192
Base-Backbone interact. energy: -1.140
local terms energy: -184.872251
where:
bonds (distance) C4'-P energy: -43.966
bonds (distance) P-C4' energy: -43.896
flat angles C4'-P-C4' energy: -39.983
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: -30.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -376.566047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.566047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.566047 (E_RNA)
where:
Base-Base interactions energy: -218.157
where: short stacking energy: -111.783
Base-Backbone interact. energy: -0.312
local terms energy: -158.097221
where:
bonds (distance) C4'-P energy: -38.047
bonds (distance) P-C4' energy: -37.669
flat angles C4'-P-C4' energy: -39.921
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: -20.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -381.719764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.719764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.719764 (E_RNA)
where:
Base-Base interactions energy: -194.401
where: short stacking energy: -124.322
Base-Backbone interact. energy: -0.860
local terms energy: -186.458987
where:
bonds (distance) C4'-P energy: -36.250
bonds (distance) P-C4' energy: -45.268
flat angles C4'-P-C4' energy: -46.671
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -30.201
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: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -268.485004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.485004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.485004 (E_RNA)
where:
Base-Base interactions energy: -123.862
where: short stacking energy: -79.823
Base-Backbone interact. energy: 1.789
local terms energy: -146.412310
where:
bonds (distance) C4'-P energy: -30.059
bonds (distance) P-C4' energy: -35.416
flat angles C4'-P-C4' energy: -42.467
flat angles P-C4'-P energy: -22.036
tors. eta vs tors. theta energy: -16.435
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: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -194.982062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.982062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.982062 (E_RNA)
where:
Base-Base interactions energy: -72.697
where: short stacking energy: -60.995
Base-Backbone interact. energy: 0.404
local terms energy: -122.689380
where:
bonds (distance) C4'-P energy: -32.802
bonds (distance) P-C4' energy: -43.941
flat angles C4'-P-C4' energy: -31.622
flat angles P-C4'-P energy: -17.409
tors. eta vs tors. theta energy: 3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -180.907774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.907774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.907774 (E_RNA)
where:
Base-Base interactions energy: -63.464
where: short stacking energy: -50.941
Base-Backbone interact. energy: 0.244
local terms energy: -117.688154
where:
bonds (distance) C4'-P energy: -33.176
bonds (distance) P-C4' energy: -34.116
flat angles C4'-P-C4' energy: -32.174
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: 0.648
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: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -667.699384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.699384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.699384 (E_RNA)
where:
Base-Base interactions energy: -444.176
where: short stacking energy: -200.495
Base-Backbone interact. energy: -0.823
local terms energy: -222.700278
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -47.922
flat angles C4'-P-C4' energy: -42.805
flat angles P-C4'-P energy: -33.871
tors. eta vs tors. theta energy: -56.892
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: -638.951222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.951222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.951222 (E_RNA)
where:
Base-Base interactions energy: -421.624
where: short stacking energy: -183.298
Base-Backbone interact. energy: -1.806
local terms energy: -215.521096
where:
bonds (distance) C4'-P energy: -42.619
bonds (distance) P-C4' energy: -45.487
flat angles C4'-P-C4' energy: -44.795
flat angles P-C4'-P energy: -31.080
tors. eta vs tors. theta energy: -51.541
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: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -577.299630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.299630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.299630 (E_RNA)
where:
Base-Base interactions energy: -375.650
where: short stacking energy: -183.786
Base-Backbone interact. energy: -0.396
local terms energy: -201.253802
where:
bonds (distance) C4'-P energy: -39.092
bonds (distance) P-C4' energy: -38.192
flat angles C4'-P-C4' energy: -48.335
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -50.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -507.950823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.950823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.950823 (E_RNA)
where:
Base-Base interactions energy: -308.680
where: short stacking energy: -156.019
Base-Backbone interact. energy: -0.865
local terms energy: -198.406073
where:
bonds (distance) C4'-P energy: -38.389
bonds (distance) P-C4' energy: -48.618
flat angles C4'-P-C4' energy: -42.745
flat angles P-C4'-P energy: -27.027
tors. eta vs tors. theta energy: -41.627
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: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -450.946311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.946311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.946311 (E_RNA)
where:
Base-Base interactions energy: -277.526
where: short stacking energy: -131.341
Base-Backbone interact. energy: -0.531
local terms energy: -172.889094
where:
bonds (distance) C4'-P energy: -38.754
bonds (distance) P-C4' energy: -30.868
flat angles C4'-P-C4' energy: -43.421
flat angles P-C4'-P energy: -21.389
tors. eta vs tors. theta energy: -38.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -390.395633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.395633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.395633 (E_RNA)
where:
Base-Base interactions energy: -209.218
where: short stacking energy: -115.403
Base-Backbone interact. energy: -0.811
local terms energy: -180.366784
where:
bonds (distance) C4'-P energy: -40.709
bonds (distance) P-C4' energy: -38.230
flat angles C4'-P-C4' energy: -42.457
flat angles P-C4'-P energy: -25.260
tors. eta vs tors. theta energy: -33.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -360.786577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.786577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.786577 (E_RNA)
where:
Base-Base interactions energy: -182.407
where: short stacking energy: -109.297
Base-Backbone interact. energy: -1.418
local terms energy: -176.961095
where:
bonds (distance) C4'-P energy: -39.395
bonds (distance) P-C4' energy: -43.050
flat angles C4'-P-C4' energy: -39.396
flat angles P-C4'-P energy: -31.281
tors. eta vs tors. theta energy: -23.839
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: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -245.425699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.425699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.425699 (E_RNA)
where:
Base-Base interactions energy: -103.325
where: short stacking energy: -68.749
Base-Backbone interact. energy: -0.435
local terms energy: -141.666034
where:
bonds (distance) C4'-P energy: -36.478
bonds (distance) P-C4' energy: -38.743
flat angles C4'-P-C4' energy: -38.067
flat angles P-C4'-P energy: -19.924
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: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -203.764890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.764890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.764890 (E_RNA)
where:
Base-Base interactions energy: -74.157
where: short stacking energy: -69.941
Base-Backbone interact. energy: -0.462
local terms energy: -129.145878
where:
bonds (distance) C4'-P energy: -31.200
bonds (distance) P-C4' energy: -43.170
flat angles C4'-P-C4' energy: -34.377
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -7.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -184.258813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.258813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.258813 (E_RNA)
where:
Base-Base interactions energy: -61.645
where: short stacking energy: -55.288
Base-Backbone interact. energy: -0.588
local terms energy: -122.026109
where:
bonds (distance) C4'-P energy: -31.095
bonds (distance) P-C4' energy: -34.661
flat angles C4'-P-C4' energy: -35.094
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -655.852487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.852487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.852487 (E_RNA)
where:
Base-Base interactions energy: -422.758
where: short stacking energy: -203.525
Base-Backbone interact. energy: -0.503
local terms energy: -232.591202
where:
bonds (distance) C4'-P energy: -44.893
bonds (distance) P-C4' energy: -47.834
flat angles C4'-P-C4' energy: -49.263
flat angles P-C4'-P energy: -31.254
tors. eta vs tors. theta energy: -59.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -620.391881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.391881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.391881 (E_RNA)
where:
Base-Base interactions energy: -410.902
where: short stacking energy: -184.802
Base-Backbone interact. energy: 0.101
local terms energy: -209.591500
where:
bonds (distance) C4'-P energy: -41.068
bonds (distance) P-C4' energy: -39.250
flat angles C4'-P-C4' energy: -50.101
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -54.012
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: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -595.566196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.566196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.566196 (E_RNA)
where:
Base-Base interactions energy: -385.453
where: short stacking energy: -185.132
Base-Backbone interact. energy: 0.026
local terms energy: -210.138870
where:
bonds (distance) C4'-P energy: -40.285
bonds (distance) P-C4' energy: -40.265
flat angles C4'-P-C4' energy: -43.393
flat angles P-C4'-P energy: -30.301
tors. eta vs tors. theta energy: -55.893
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: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -543.830479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.830479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.830479 (E_RNA)
where:
Base-Base interactions energy: -342.757
where: short stacking energy: -160.429
Base-Backbone interact. energy: 0.424
local terms energy: -201.497205
where:
bonds (distance) C4'-P energy: -36.905
bonds (distance) P-C4' energy: -45.286
flat angles C4'-P-C4' energy: -49.498
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: -40.253
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: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -465.127935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.127935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.127935 (E_RNA)
where:
Base-Base interactions energy: -260.338
where: short stacking energy: -135.413
Base-Backbone interact. energy: -0.891
local terms energy: -203.899791
where:
bonds (distance) C4'-P energy: -45.881
bonds (distance) P-C4' energy: -43.238
flat angles C4'-P-C4' energy: -47.744
flat angles P-C4'-P energy: -33.133
tors. eta vs tors. theta energy: -33.905
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: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -384.264788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.264788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.264788 (E_RNA)
where:
Base-Base interactions energy: -215.681
where: short stacking energy: -108.915
Base-Backbone interact. energy: -0.977
local terms energy: -167.606279
where:
bonds (distance) C4'-P energy: -41.700
bonds (distance) P-C4' energy: -36.503
flat angles C4'-P-C4' energy: -40.686
flat angles P-C4'-P energy: -29.867
tors. eta vs tors. theta energy: -18.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -336.983470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.983470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.983470 (E_RNA)
where:
Base-Base interactions energy: -181.209
where: short stacking energy: -86.707
Base-Backbone interact. energy: 0.280
local terms energy: -156.054094
where:
bonds (distance) C4'-P energy: -40.994
bonds (distance) P-C4' energy: -43.165
flat angles C4'-P-C4' energy: -30.029
flat angles P-C4'-P energy: -27.193
tors. eta vs tors. theta energy: -14.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -236.688746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.688746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.688746 (E_RNA)
where:
Base-Base interactions energy: -94.196
where: short stacking energy: -63.790
Base-Backbone interact. energy: 1.497
local terms energy: -143.990247
where:
bonds (distance) C4'-P energy: -35.265
bonds (distance) P-C4' energy: -40.961
flat angles C4'-P-C4' energy: -39.619
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -198.942334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.942334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.942334 (E_RNA)
where:
Base-Base interactions energy: -78.331
where: short stacking energy: -62.689
Base-Backbone interact. energy: 0.625
local terms energy: -121.236238
where:
bonds (distance) C4'-P energy: -35.080
bonds (distance) P-C4' energy: -44.750
flat angles C4'-P-C4' energy: -33.330
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: 7.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -182.881777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.881777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.881777 (E_RNA)
where:
Base-Base interactions energy: -59.614
where: short stacking energy: -48.630
Base-Backbone interact. energy: -0.992
local terms energy: -122.275291
where:
bonds (distance) C4'-P energy: -37.240
bonds (distance) P-C4' energy: -41.056
flat angles C4'-P-C4' energy: -25.830
flat angles P-C4'-P energy: -22.752
tors. eta vs tors. theta energy: 4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -648.579521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.579521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.579521 (E_RNA)
where:
Base-Base interactions energy: -422.261
where: short stacking energy: -187.353
Base-Backbone interact. energy: -0.785
local terms energy: -225.533693
where:
bonds (distance) C4'-P energy: -46.515
bonds (distance) P-C4' energy: -50.563
flat angles C4'-P-C4' energy: -46.375
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: -55.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -627.735404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.735404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.735404 (E_RNA)
where:
Base-Base interactions energy: -410.477
where: short stacking energy: -173.667
Base-Backbone interact. energy: -0.496
local terms energy: -216.762308
where:
bonds (distance) C4'-P energy: -44.648
bonds (distance) P-C4' energy: -41.733
flat angles C4'-P-C4' energy: -50.233
flat angles P-C4'-P energy: -31.040
tors. eta vs tors. theta energy: -49.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -577.370132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.370132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.370132 (E_RNA)
where:
Base-Base interactions energy: -376.403
where: short stacking energy: -182.491
Base-Backbone interact. energy: -0.316
local terms energy: -200.651182
where:
bonds (distance) C4'-P energy: -37.961
bonds (distance) P-C4' energy: -40.776
flat angles C4'-P-C4' energy: -40.890
flat angles P-C4'-P energy: -31.663
tors. eta vs tors. theta energy: -49.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -531.533522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.533522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.533522 (E_RNA)
where:
Base-Base interactions energy: -330.188
where: short stacking energy: -142.993
Base-Backbone interact. energy: -0.290
local terms energy: -201.054816
where:
bonds (distance) C4'-P energy: -43.339
bonds (distance) P-C4' energy: -46.198
flat angles C4'-P-C4' energy: -41.112
flat angles P-C4'-P energy: -32.096
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: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -434.016321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.016321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.016321 (E_RNA)
where:
Base-Base interactions energy: -271.759
where: short stacking energy: -134.260
Base-Backbone interact. energy: -0.672
local terms energy: -161.585978
where:
bonds (distance) C4'-P energy: -38.112
bonds (distance) P-C4' energy: -34.979
flat angles C4'-P-C4' energy: -39.970
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -379.451915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.451915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.451915 (E_RNA)
where:
Base-Base interactions energy: -216.554
where: short stacking energy: -115.247
Base-Backbone interact. energy: 0.909
local terms energy: -163.806788
where:
bonds (distance) C4'-P energy: -33.005
bonds (distance) P-C4' energy: -40.327
flat angles C4'-P-C4' energy: -40.193
flat angles P-C4'-P energy: -17.908
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: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -322.647071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.647071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.647071 (E_RNA)
where:
Base-Base interactions energy: -173.438
where: short stacking energy: -103.777
Base-Backbone interact. energy: -0.566
local terms energy: -148.642752
where:
bonds (distance) C4'-P energy: -31.240
bonds (distance) P-C4' energy: -44.413
flat angles C4'-P-C4' energy: -32.822
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -207.989889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.989889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.989889 (E_RNA)
where:
Base-Base interactions energy: -78.371
where: short stacking energy: -68.676
Base-Backbone interact. energy: -0.470
local terms energy: -129.149650
where:
bonds (distance) C4'-P energy: -33.912
bonds (distance) P-C4' energy: -39.722
flat angles C4'-P-C4' energy: -31.605
flat angles P-C4'-P energy: -26.052
tors. eta vs tors. theta energy: 2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -183.006217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.006217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.006217 (E_RNA)
where:
Base-Base interactions energy: -65.676
where: short stacking energy: -55.332
Base-Backbone interact. energy: 1.339
local terms energy: -118.669185
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -45.144
flat angles C4'-P-C4' energy: -37.912
flat angles P-C4'-P energy: -17.442
tors. eta vs tors. theta energy: -2.571
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: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -187.458925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.458925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.458925 (E_RNA)
where:
Base-Base interactions energy: -85.785
where: short stacking energy: -54.409
Base-Backbone interact. energy: -0.775
local terms energy: -100.899079
where:
bonds (distance) C4'-P energy: -31.853
bonds (distance) P-C4' energy: -33.024
flat angles C4'-P-C4' energy: -33.847
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: 7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -630.702472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.702472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.702472 (E_RNA)
where:
Base-Base interactions energy: -410.425
where: short stacking energy: -183.645
Base-Backbone interact. energy: -0.281
local terms energy: -219.996940
where:
bonds (distance) C4'-P energy: -44.193
bonds (distance) P-C4' energy: -41.389
flat angles C4'-P-C4' energy: -50.607
flat angles P-C4'-P energy: -30.744
tors. eta vs tors. theta energy: -53.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -639.915268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.915268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.915268 (E_RNA)
where:
Base-Base interactions energy: -409.014
where: short stacking energy: -183.403
Base-Backbone interact. energy: -0.208
local terms energy: -230.692861
where:
bonds (distance) C4'-P energy: -44.754
bonds (distance) P-C4' energy: -45.762
flat angles C4'-P-C4' energy: -50.427
flat angles P-C4'-P energy: -31.305
tors. eta vs tors. theta energy: -58.445
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: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -586.541196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.541196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.541196 (E_RNA)
where:
Base-Base interactions energy: -380.727
where: short stacking energy: -186.794
Base-Backbone interact. energy: -1.130
local terms energy: -204.684177
where:
bonds (distance) C4'-P energy: -38.794
bonds (distance) P-C4' energy: -43.935
flat angles C4'-P-C4' energy: -41.589
flat angles P-C4'-P energy: -26.998
tors. eta vs tors. theta energy: -53.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -535.754819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.754819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.754819 (E_RNA)
where:
Base-Base interactions energy: -339.759
where: short stacking energy: -159.141
Base-Backbone interact. energy: -0.218
local terms energy: -195.777809
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -46.981
flat angles C4'-P-C4' energy: -40.567
flat angles P-C4'-P energy: -33.637
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: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -472.481297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.481297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.481297 (E_RNA)
where:
Base-Base interactions energy: -287.253
where: short stacking energy: -147.824
Base-Backbone interact. energy: -0.520
local terms energy: -184.708256
where:
bonds (distance) C4'-P energy: -32.179
bonds (distance) P-C4' energy: -38.004
flat angles C4'-P-C4' energy: -43.312
flat angles P-C4'-P energy: -27.586
tors. eta vs tors. theta energy: -43.627
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: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -393.679760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.679760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.679760 (E_RNA)
where:
Base-Base interactions energy: -220.265
where: short stacking energy: -123.170
Base-Backbone interact. energy: -0.531
local terms energy: -172.884072
where:
bonds (distance) C4'-P energy: -35.454
bonds (distance) P-C4' energy: -43.548
flat angles C4'-P-C4' energy: -34.741
flat angles P-C4'-P energy: -31.575
tors. eta vs tors. theta energy: -27.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -319.708368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.708368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.708368 (E_RNA)
where:
Base-Base interactions energy: -180.880
where: short stacking energy: -89.660
Base-Backbone interact. energy: 0.092
local terms energy: -138.920300
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -34.467
flat angles C4'-P-C4' energy: -41.002
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -213.754389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.754389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.754389 (E_RNA)
where:
Base-Base interactions energy: -82.754
where: short stacking energy: -73.451
Base-Backbone interact. energy: -0.446
local terms energy: -130.554064
where:
bonds (distance) C4'-P energy: -38.073
bonds (distance) P-C4' energy: -39.635
flat angles C4'-P-C4' energy: -38.526
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -198.806654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.806654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.806654 (E_RNA)
where:
Base-Base interactions energy: -79.444
where: short stacking energy: -70.244
Base-Backbone interact. energy: 2.962
local terms energy: -122.324978
where:
bonds (distance) C4'-P energy: -41.345
bonds (distance) P-C4' energy: -33.481
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -168.483974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.483974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.483974 (E_RNA)
where:
Base-Base interactions energy: -65.069
where: short stacking energy: -55.749
Base-Backbone interact. energy: -0.645
local terms energy: -102.770015
where:
bonds (distance) C4'-P energy: -31.439
bonds (distance) P-C4' energy: -40.025
flat angles C4'-P-C4' energy: -22.093
flat angles P-C4'-P energy: -12.688
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: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -640.133285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.133285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.133285 (E_RNA)
where:
Base-Base interactions energy: -439.691
where: short stacking energy: -193.334
Base-Backbone interact. energy: 0.874
local terms energy: -201.315537
where:
bonds (distance) C4'-P energy: -34.796
bonds (distance) P-C4' energy: -45.835
flat angles C4'-P-C4' energy: -49.587
flat angles P-C4'-P energy: -16.101
tors. eta vs tors. theta energy: -54.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -632.381311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.381311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.381311 (E_RNA)
where:
Base-Base interactions energy: -418.135
where: short stacking energy: -201.063
Base-Backbone interact. energy: -0.197
local terms energy: -214.049592
where:
bonds (distance) C4'-P energy: -37.054
bonds (distance) P-C4' energy: -44.060
flat angles C4'-P-C4' energy: -44.277
flat angles P-C4'-P energy: -29.417
tors. eta vs tors. theta energy: -59.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -584.607981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.607981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.607981 (E_RNA)
where:
Base-Base interactions energy: -374.124
where: short stacking energy: -183.391
Base-Backbone interact. energy: -0.507
local terms energy: -209.977152
where:
bonds (distance) C4'-P energy: -43.357
bonds (distance) P-C4' energy: -38.688
flat angles C4'-P-C4' energy: -42.667
flat angles P-C4'-P energy: -32.790
tors. eta vs tors. theta energy: -52.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -499.717588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.717588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.717588 (E_RNA)
where:
Base-Base interactions energy: -297.041
where: short stacking energy: -138.290
Base-Backbone interact. energy: -0.145
local terms energy: -202.532146
where:
bonds (distance) C4'-P energy: -41.422
bonds (distance) P-C4' energy: -46.517
flat angles C4'-P-C4' energy: -43.604
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: -44.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -522.662410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.662410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.662410 (E_RNA)
where:
Base-Base interactions energy: -342.347
where: short stacking energy: -158.828
Base-Backbone interact. energy: -0.486
local terms energy: -179.829741
where:
bonds (distance) C4'-P energy: -39.995
bonds (distance) P-C4' energy: -40.639
flat angles C4'-P-C4' energy: -38.233
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -377.985350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.985350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.985350 (E_RNA)
where:
Base-Base interactions energy: -222.639
where: short stacking energy: -122.550
Base-Backbone interact. energy: -0.249
local terms energy: -155.097584
where:
bonds (distance) C4'-P energy: -36.361
bonds (distance) P-C4' energy: -34.898
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -19.140
tors. eta vs tors. theta energy: -28.472
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: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -317.428172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.428172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.428172 (E_RNA)
where:
Base-Base interactions energy: -157.933
where: short stacking energy: -95.060
Base-Backbone interact. energy: -0.044
local terms energy: -159.450529
where:
bonds (distance) C4'-P energy: -41.042
bonds (distance) P-C4' energy: -41.932
flat angles C4'-P-C4' energy: -35.560
flat angles P-C4'-P energy: -22.315
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: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -205.846610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.846610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.846610 (E_RNA)
where:
Base-Base interactions energy: -80.738
where: short stacking energy: -59.513
Base-Backbone interact. energy: -1.323
local terms energy: -123.785697
where:
bonds (distance) C4'-P energy: -37.194
bonds (distance) P-C4' energy: -33.363
flat angles C4'-P-C4' energy: -20.960
flat angles P-C4'-P energy: -28.136
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -184.003959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.003959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.003959 (E_RNA)
where:
Base-Base interactions energy: -71.566
where: short stacking energy: -57.700
Base-Backbone interact. energy: -1.169
local terms energy: -111.268714
where:
bonds (distance) C4'-P energy: -28.236
bonds (distance) P-C4' energy: -37.794
flat angles C4'-P-C4' energy: -31.003
flat angles P-C4'-P energy: -21.703
tors. eta vs tors. theta energy: 7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -188.078020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.078020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.078020 (E_RNA)
where:
Base-Base interactions energy: -68.271
where: short stacking energy: -60.519
Base-Backbone interact. energy: -0.863
local terms energy: -118.944280
where:
bonds (distance) C4'-P energy: -36.187
bonds (distance) P-C4' energy: -35.362
flat angles C4'-P-C4' energy: -33.532
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: 0.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -641.848938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.848938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.848938 (E_RNA)
where:
Base-Base interactions energy: -430.432
where: short stacking energy: -193.742
Base-Backbone interact. energy: -1.720
local terms energy: -209.696958
where:
bonds (distance) C4'-P energy: -42.200
bonds (distance) P-C4' energy: -47.489
flat angles C4'-P-C4' energy: -41.166
flat angles P-C4'-P energy: -27.209
tors. eta vs tors. theta energy: -51.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -650.273263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.273263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.273263 (E_RNA)
where:
Base-Base interactions energy: -429.016
where: short stacking energy: -197.354
Base-Backbone interact. energy: -0.121
local terms energy: -221.136575
where:
bonds (distance) C4'-P energy: -41.497
bonds (distance) P-C4' energy: -40.017
flat angles C4'-P-C4' energy: -50.387
flat angles P-C4'-P energy: -30.731
tors. eta vs tors. theta energy: -58.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -590.342628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.342628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.342628 (E_RNA)
where:
Base-Base interactions energy: -369.292
where: short stacking energy: -172.018
Base-Backbone interact. energy: -0.472
local terms energy: -220.578599
where:
bonds (distance) C4'-P energy: -45.116
bonds (distance) P-C4' energy: -35.906
flat angles C4'-P-C4' energy: -50.114
flat angles P-C4'-P energy: -33.808
tors. eta vs tors. theta energy: -55.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -491.477392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.477392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.477392 (E_RNA)
where:
Base-Base interactions energy: -301.635
where: short stacking energy: -157.510
Base-Backbone interact. energy: -0.433
local terms energy: -189.409513
where:
bonds (distance) C4'-P energy: -40.486
bonds (distance) P-C4' energy: -38.501
flat angles C4'-P-C4' energy: -42.939
flat angles P-C4'-P energy: -28.281
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: 5, replica: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -524.682738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.682738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.682738 (E_RNA)
where:
Base-Base interactions energy: -339.937
where: short stacking energy: -167.613
Base-Backbone interact. energy: 0.417
local terms energy: -185.162465
where:
bonds (distance) C4'-P energy: -42.868
bonds (distance) P-C4' energy: -30.611
flat angles C4'-P-C4' energy: -41.278
flat angles P-C4'-P energy: -28.586
tors. eta vs tors. theta energy: -41.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -339.417926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.417926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.417926 (E_RNA)
where:
Base-Base interactions energy: -190.103
where: short stacking energy: -91.930
Base-Backbone interact. energy: -0.891
local terms energy: -148.424027
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -27.305
flat angles C4'-P-C4' energy: -33.744
flat angles P-C4'-P energy: -28.516
tors. eta vs tors. theta energy: -18.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -332.299165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.299165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.299165 (E_RNA)
where:
Base-Base interactions energy: -179.982
where: short stacking energy: -90.621
Base-Backbone interact. energy: 0.324
local terms energy: -152.641464
where:
bonds (distance) C4'-P energy: -35.618
bonds (distance) P-C4' energy: -30.316
flat angles C4'-P-C4' energy: -37.521
flat angles P-C4'-P energy: -29.423
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -192.650356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.650356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.650356 (E_RNA)
where:
Base-Base interactions energy: -72.331
where: short stacking energy: -67.809
Base-Backbone interact. energy: 4.804
local terms energy: -125.123691
where:
bonds (distance) C4'-P energy: -37.960
bonds (distance) P-C4' energy: -32.711
flat angles C4'-P-C4' energy: -37.944
flat angles P-C4'-P energy: -16.907
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: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -205.729029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.729029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.729029 (E_RNA)
where:
Base-Base interactions energy: -65.675
where: short stacking energy: -61.408
Base-Backbone interact. energy: -0.966
local terms energy: -139.087917
where:
bonds (distance) C4'-P energy: -33.884
bonds (distance) P-C4' energy: -46.392
flat angles C4'-P-C4' energy: -31.411
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -9.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -184.372073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.372073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.372073 (E_RNA)
where:
Base-Base interactions energy: -62.784
where: short stacking energy: -52.553
Base-Backbone interact. energy: -0.753
local terms energy: -120.835051
where:
bonds (distance) C4'-P energy: -30.693
bonds (distance) P-C4' energy: -29.449
flat angles C4'-P-C4' energy: -36.294
flat angles P-C4'-P energy: -26.623
tors. eta vs tors. theta energy: 2.225
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: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -636.466840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.466840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.466840 (E_RNA)
where:
Base-Base interactions energy: -412.176
where: short stacking energy: -187.843
Base-Backbone interact. energy: -0.577
local terms energy: -223.713943
where:
bonds (distance) C4'-P energy: -44.119
bonds (distance) P-C4' energy: -40.837
flat angles C4'-P-C4' energy: -49.478
flat angles P-C4'-P energy: -34.933
tors. eta vs tors. theta energy: -54.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -583.522015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.522015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.522015 (E_RNA)
where:
Base-Base interactions energy: -367.009
where: short stacking energy: -189.023
Base-Backbone interact. energy: -0.282
local terms energy: -216.230889
where:
bonds (distance) C4'-P energy: -39.563
bonds (distance) P-C4' energy: -38.414
flat angles C4'-P-C4' energy: -46.991
flat angles P-C4'-P energy: -35.688
tors. eta vs tors. theta energy: -55.575
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: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -604.166149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.166149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.166149 (E_RNA)
where:
Base-Base interactions energy: -397.259
where: short stacking energy: -180.839
Base-Backbone interact. energy: 0.852
local terms energy: -207.759260
where:
bonds (distance) C4'-P energy: -33.029
bonds (distance) P-C4' energy: -38.625
flat angles C4'-P-C4' energy: -43.289
flat angles P-C4'-P energy: -31.387
tors. eta vs tors. theta energy: -61.430
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: 8
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -532.073493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.073493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.073493 (E_RNA)
where:
Base-Base interactions energy: -349.735
where: short stacking energy: -163.955
Base-Backbone interact. energy: -1.635
local terms energy: -180.703182
where:
bonds (distance) C4'-P energy: -34.077
bonds (distance) P-C4' energy: -36.494
flat angles C4'-P-C4' energy: -44.261
flat angles P-C4'-P energy: -25.475
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: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -467.310481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.310481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.310481 (E_RNA)
where:
Base-Base interactions energy: -286.216
where: short stacking energy: -136.545
Base-Backbone interact. energy: -0.313
local terms energy: -180.781879
where:
bonds (distance) C4'-P energy: -47.881
bonds (distance) P-C4' energy: -39.334
flat angles C4'-P-C4' energy: -40.883
flat angles P-C4'-P energy: -17.350
tors. eta vs tors. theta energy: -35.333
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: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -365.211848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.211848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.211848 (E_RNA)
where:
Base-Base interactions energy: -227.327
where: short stacking energy: -112.381
Base-Backbone interact. energy: -0.567
local terms energy: -137.317125
where:
bonds (distance) C4'-P energy: -39.210
bonds (distance) P-C4' energy: -34.060
flat angles C4'-P-C4' energy: -27.294
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: -16.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -355.319301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.319301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.319301 (E_RNA)
where:
Base-Base interactions energy: -214.033
where: short stacking energy: -113.436
Base-Backbone interact. energy: -0.823
local terms energy: -140.463808
where:
bonds (distance) C4'-P energy: -31.520
bonds (distance) P-C4' energy: -36.496
flat angles C4'-P-C4' energy: -43.060
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -193.135818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.135818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.135818 (E_RNA)
where:
Base-Base interactions energy: -68.099
where: short stacking energy: -52.120
Base-Backbone interact. energy: -0.662
local terms energy: -124.375067
where:
bonds (distance) C4'-P energy: -37.010
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -40.531
flat angles P-C4'-P energy: -25.182
tors. eta vs tors. theta energy: 7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -194.716171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.716171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.716171 (E_RNA)
where:
Base-Base interactions energy: -62.864
where: short stacking energy: -58.741
Base-Backbone interact. energy: 4.723
local terms energy: -136.574743
where:
bonds (distance) C4'-P energy: -31.788
bonds (distance) P-C4' energy: -40.447
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -28.611
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -174.516834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.516834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.516834 (E_RNA)
where:
Base-Base interactions energy: -63.339
where: short stacking energy: -43.314
Base-Backbone interact. energy: -0.864
local terms energy: -110.313599
where:
bonds (distance) C4'-P energy: -23.754
bonds (distance) P-C4' energy: -41.038
flat angles C4'-P-C4' energy: -32.980
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -640.149831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.149831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.149831 (E_RNA)
where:
Base-Base interactions energy: -423.138
where: short stacking energy: -188.010
Base-Backbone interact. energy: 0.498
local terms energy: -217.510139
where:
bonds (distance) C4'-P energy: -43.248
bonds (distance) P-C4' energy: -49.736
flat angles C4'-P-C4' energy: -44.547
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -55.590
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: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -606.516031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.516031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.516031 (E_RNA)
where:
Base-Base interactions energy: -375.886
where: short stacking energy: -180.741
Base-Backbone interact. energy: -0.863
local terms energy: -229.767155
where:
bonds (distance) C4'-P energy: -50.151
bonds (distance) P-C4' energy: -44.225
flat angles C4'-P-C4' energy: -46.234
flat angles P-C4'-P energy: -32.807
tors. eta vs tors. theta energy: -56.351
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: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -605.413629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.413629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.413629 (E_RNA)
where:
Base-Base interactions energy: -394.135
where: short stacking energy: -169.103
Base-Backbone interact. energy: -0.310
local terms energy: -210.968315
where:
bonds (distance) C4'-P energy: -43.824
bonds (distance) P-C4' energy: -47.319
flat angles C4'-P-C4' energy: -45.827
flat angles P-C4'-P energy: -28.444
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: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -548.679666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.679666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.679666 (E_RNA)
where:
Base-Base interactions energy: -360.795
where: short stacking energy: -172.115
Base-Backbone interact. energy: -0.925
local terms energy: -186.959488
where:
bonds (distance) C4'-P energy: -36.319
bonds (distance) P-C4' energy: -36.410
flat angles C4'-P-C4' energy: -39.762
flat angles P-C4'-P energy: -24.810
tors. eta vs tors. theta energy: -49.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -487.148713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.148713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.148713 (E_RNA)
where:
Base-Base interactions energy: -287.885
where: short stacking energy: -150.346
Base-Backbone interact. energy: -0.586
local terms energy: -198.677662
where:
bonds (distance) C4'-P energy: -46.782
bonds (distance) P-C4' energy: -41.552
flat angles C4'-P-C4' energy: -43.814
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: -42.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -410.576784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.576784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.576784 (E_RNA)
where:
Base-Base interactions energy: -236.235
where: short stacking energy: -113.243
Base-Backbone interact. energy: -1.122
local terms energy: -173.220071
where:
bonds (distance) C4'-P energy: -42.255
bonds (distance) P-C4' energy: -37.071
flat angles C4'-P-C4' energy: -41.456
flat angles P-C4'-P energy: -27.296
tors. eta vs tors. theta energy: -25.142
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: 2
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -352.505659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.505659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.505659 (E_RNA)
where:
Base-Base interactions energy: -211.673
where: short stacking energy: -106.638
Base-Backbone interact. energy: 0.083
local terms energy: -140.916107
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -38.942
flat angles C4'-P-C4' energy: -35.158
flat angles P-C4'-P energy: -19.859
tors. eta vs tors. theta energy: -22.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -192.819375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.819375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.819375 (E_RNA)
where:
Base-Base interactions energy: -67.046
where: short stacking energy: -58.077
Base-Backbone interact. energy: 1.209
local terms energy: -126.982083
where:
bonds (distance) C4'-P energy: -32.716
bonds (distance) P-C4' energy: -43.196
flat angles C4'-P-C4' energy: -36.652
flat angles P-C4'-P energy: -19.746
tors. eta vs tors. theta energy: 5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -198.655452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.655452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.655452 (E_RNA)
where:
Base-Base interactions energy: -81.783
where: short stacking energy: -68.863
Base-Backbone interact. energy: -1.367
local terms energy: -115.505923
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -40.984
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -15.515
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: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -206.275962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.275962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.275962 (E_RNA)
where:
Base-Base interactions energy: -86.719
where: short stacking energy: -54.420
Base-Backbone interact. energy: 3.017
local terms energy: -122.574577
where:
bonds (distance) C4'-P energy: -32.092
bonds (distance) P-C4' energy: -43.702
flat angles C4'-P-C4' energy: -22.917
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: 0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -641.380123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.380123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.380123 (E_RNA)
where:
Base-Base interactions energy: -422.944
where: short stacking energy: -184.253
Base-Backbone interact. energy: -1.193
local terms energy: -217.242459
where:
bonds (distance) C4'-P energy: -44.852
bonds (distance) P-C4' energy: -44.796
flat angles C4'-P-C4' energy: -49.736
flat angles P-C4'-P energy: -29.303
tors. eta vs tors. theta energy: -48.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -626.410911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.410911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.410911 (E_RNA)
where:
Base-Base interactions energy: -411.724
where: short stacking energy: -193.655
Base-Backbone interact. energy: -0.016
local terms energy: -214.671205
where:
bonds (distance) C4'-P energy: -44.692
bonds (distance) P-C4' energy: -39.124
flat angles C4'-P-C4' energy: -44.887
flat angles P-C4'-P energy: -27.629
tors. eta vs tors. theta energy: -58.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -584.888676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.888676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.888676 (E_RNA)
where:
Base-Base interactions energy: -386.733
where: short stacking energy: -185.415
Base-Backbone interact. energy: -0.251
local terms energy: -197.905107
where:
bonds (distance) C4'-P energy: -34.752
bonds (distance) P-C4' energy: -43.744
flat angles C4'-P-C4' energy: -33.224
flat angles P-C4'-P energy: -29.903
tors. eta vs tors. theta energy: -56.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -545.031300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.031300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.031300 (E_RNA)
where:
Base-Base interactions energy: -348.458
where: short stacking energy: -163.176
Base-Backbone interact. energy: 0.638
local terms energy: -197.211450
where:
bonds (distance) C4'-P energy: -39.282
bonds (distance) P-C4' energy: -41.740
flat angles C4'-P-C4' energy: -39.210
flat angles P-C4'-P energy: -27.726
tors. eta vs tors. theta energy: -49.253
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: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -460.140111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.140111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.140111 (E_RNA)
where:
Base-Base interactions energy: -281.063
where: short stacking energy: -137.590
Base-Backbone interact. energy: -0.635
local terms energy: -178.442478
where:
bonds (distance) C4'-P energy: -37.753
bonds (distance) P-C4' energy: -39.172
flat angles C4'-P-C4' energy: -42.489
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -28.662
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: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -421.011062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.011062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.011062 (E_RNA)
where:
Base-Base interactions energy: -239.675
where: short stacking energy: -136.267
Base-Backbone interact. energy: -0.405
local terms energy: -180.931021
where:
bonds (distance) C4'-P energy: -39.785
bonds (distance) P-C4' energy: -36.444
flat angles C4'-P-C4' energy: -44.783
flat angles P-C4'-P energy: -18.504
tors. eta vs tors. theta energy: -41.416
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: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -343.274923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.274923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.274923 (E_RNA)
where:
Base-Base interactions energy: -193.161
where: short stacking energy: -89.784
Base-Backbone interact. energy: -0.417
local terms energy: -149.697082
where:
bonds (distance) C4'-P energy: -38.723
bonds (distance) P-C4' energy: -33.205
flat angles C4'-P-C4' energy: -40.225
flat angles P-C4'-P energy: -20.225
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -203.619366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.619366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.619366 (E_RNA)
where:
Base-Base interactions energy: -58.464
where: short stacking energy: -57.476
Base-Backbone interact. energy: -0.379
local terms energy: -144.776122
where:
bonds (distance) C4'-P energy: -37.104
bonds (distance) P-C4' energy: -34.230
flat angles C4'-P-C4' energy: -41.025
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -203.000008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.000008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.000008 (E_RNA)
where:
Base-Base interactions energy: -69.962
where: short stacking energy: -64.839
Base-Backbone interact. energy: -0.704
local terms energy: -132.333772
where:
bonds (distance) C4'-P energy: -34.819
bonds (distance) P-C4' energy: -41.479
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -16.659
tors. eta vs tors. theta energy: -7.773
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: 219
Temperature: 1.350000
Total energy: -268.303158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.303158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.303158 (E_RNA)
where:
Base-Base interactions energy: -143.063
where: short stacking energy: -83.863
Base-Backbone interact. energy: -0.607
local terms energy: -124.633064
where:
bonds (distance) C4'-P energy: -36.208
bonds (distance) P-C4' energy: -29.549
flat angles C4'-P-C4' energy: -38.311
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -6.858
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: 220
Temperature: 0.900000
Total energy: -666.390158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.390158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.390158 (E_RNA)
where:
Base-Base interactions energy: -444.891
where: short stacking energy: -204.982
Base-Backbone interact. energy: -0.504
local terms energy: -220.995116
where:
bonds (distance) C4'-P energy: -40.737
bonds (distance) P-C4' energy: -39.965
flat angles C4'-P-C4' energy: -49.206
flat angles P-C4'-P energy: -30.893
tors. eta vs tors. theta energy: -60.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -632.988635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.988635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.988635 (E_RNA)
where:
Base-Base interactions energy: -406.434
where: short stacking energy: -198.723
Base-Backbone interact. energy: -0.136
local terms energy: -226.418504
where:
bonds (distance) C4'-P energy: -40.878
bonds (distance) P-C4' energy: -44.518
flat angles C4'-P-C4' energy: -43.076
flat angles P-C4'-P energy: -39.948
tors. eta vs tors. theta energy: -58.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -595.517060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.517060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.517060 (E_RNA)
where:
Base-Base interactions energy: -372.606
where: short stacking energy: -191.276
Base-Backbone interact. energy: -0.540
local terms energy: -222.370338
where:
bonds (distance) C4'-P energy: -42.993
bonds (distance) P-C4' energy: -46.565
flat angles C4'-P-C4' energy: -47.658
flat angles P-C4'-P energy: -31.246
tors. eta vs tors. theta energy: -53.909
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: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -550.652400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.652400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.652400 (E_RNA)
where:
Base-Base interactions energy: -353.783
where: short stacking energy: -161.711
Base-Backbone interact. energy: 0.342
local terms energy: -197.212057
where:
bonds (distance) C4'-P energy: -45.619
bonds (distance) P-C4' energy: -40.742
flat angles C4'-P-C4' energy: -40.758
flat angles P-C4'-P energy: -22.673
tors. eta vs tors. theta energy: -47.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -474.224452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.224452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.224452 (E_RNA)
where:
Base-Base interactions energy: -278.321
where: short stacking energy: -148.229
Base-Backbone interact. energy: -0.766
local terms energy: -195.137590
where:
bonds (distance) C4'-P energy: -41.137
bonds (distance) P-C4' energy: -38.258
flat angles C4'-P-C4' energy: -41.546
flat angles P-C4'-P energy: -31.568
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: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -422.100326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.100326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.100326 (E_RNA)
where:
Base-Base interactions energy: -256.050
where: short stacking energy: -141.311
Base-Backbone interact. energy: -0.778
local terms energy: -165.271799
where:
bonds (distance) C4'-P energy: -32.471
bonds (distance) P-C4' energy: -32.915
flat angles C4'-P-C4' energy: -41.352
flat angles P-C4'-P energy: -26.815
tors. eta vs tors. theta energy: -31.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -308.749246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.749246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.749246 (E_RNA)
where:
Base-Base interactions energy: -143.587
where: short stacking energy: -84.270
Base-Backbone interact. energy: -0.179
local terms energy: -164.983879
where:
bonds (distance) C4'-P energy: -34.074
bonds (distance) P-C4' energy: -48.255
flat angles C4'-P-C4' energy: -39.579
flat angles P-C4'-P energy: -26.023
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -208.588883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.588883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.588883 (E_RNA)
where:
Base-Base interactions energy: -77.735
where: short stacking energy: -64.279
Base-Backbone interact. energy: -0.493
local terms energy: -130.361221
where:
bonds (distance) C4'-P energy: -32.953
bonds (distance) P-C4' energy: -43.625
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -209.118984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.118984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.118984 (E_RNA)
where:
Base-Base interactions energy: -84.838
where: short stacking energy: -59.376
Base-Backbone interact. energy: 0.310
local terms energy: -124.591091
where:
bonds (distance) C4'-P energy: -41.962
bonds (distance) P-C4' energy: -44.507
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: 2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -189.220983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.220983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.220983 (E_RNA)
where:
Base-Base interactions energy: -64.915
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.685
local terms energy: -123.621242
where:
bonds (distance) C4'-P energy: -39.130
bonds (distance) P-C4' energy: -41.687
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: 8.978
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: 221
Temperature: 0.900000
Total energy: -658.834908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.834908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.834908 (E_RNA)
where:
Base-Base interactions energy: -431.357
where: short stacking energy: -205.796
Base-Backbone interact. energy: -0.382
local terms energy: -227.096032
where:
bonds (distance) C4'-P energy: -50.904
bonds (distance) P-C4' energy: -48.386
flat angles C4'-P-C4' energy: -41.890
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -61.918
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: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -630.041421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.041421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.041421 (E_RNA)
where:
Base-Base interactions energy: -406.621
where: short stacking energy: -180.430
Base-Backbone interact. energy: -0.185
local terms energy: -223.235353
where:
bonds (distance) C4'-P energy: -42.012
bonds (distance) P-C4' energy: -44.378
flat angles C4'-P-C4' energy: -45.347
flat angles P-C4'-P energy: -35.946
tors. eta vs tors. theta energy: -55.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -563.557312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.557312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.557312 (E_RNA)
where:
Base-Base interactions energy: -360.239
where: short stacking energy: -177.591
Base-Backbone interact. energy: 0.050
local terms energy: -203.368318
where:
bonds (distance) C4'-P energy: -41.518
bonds (distance) P-C4' energy: -43.302
flat angles C4'-P-C4' energy: -43.824
flat angles P-C4'-P energy: -29.313
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: 4, replica: 4
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -527.409472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.409472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.409472 (E_RNA)
where:
Base-Base interactions energy: -339.132
where: short stacking energy: -151.980
Base-Backbone interact. energy: -0.191
local terms energy: -188.086234
where:
bonds (distance) C4'-P energy: -36.059
bonds (distance) P-C4' energy: -45.727
flat angles C4'-P-C4' energy: -41.039
flat angles P-C4'-P energy: -18.501
tors. eta vs tors. theta energy: -46.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -467.529883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.529883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.529883 (E_RNA)
where:
Base-Base interactions energy: -282.688
where: short stacking energy: -129.201
Base-Backbone interact. energy: -0.841
local terms energy: -184.001106
where:
bonds (distance) C4'-P energy: -45.219
bonds (distance) P-C4' energy: -47.537
flat angles C4'-P-C4' energy: -34.901
flat angles P-C4'-P energy: -23.670
tors. eta vs tors. theta energy: -32.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -352.661555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.661555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.661555 (E_RNA)
where:
Base-Base interactions energy: -200.436
where: short stacking energy: -106.846
Base-Backbone interact. energy: 3.517
local terms energy: -155.742516
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -35.969
flat angles C4'-P-C4' energy: -44.104
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -284.084629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.084629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.084629 (E_RNA)
where:
Base-Base interactions energy: -141.122
where: short stacking energy: -88.483
Base-Backbone interact. energy: 0.133
local terms energy: -143.095289
where:
bonds (distance) C4'-P energy: -30.844
bonds (distance) P-C4' energy: -41.146
flat angles C4'-P-C4' energy: -35.877
flat angles P-C4'-P energy: -23.760
tors. eta vs tors. theta energy: -11.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -225.138812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.138812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.138812 (E_RNA)
where:
Base-Base interactions energy: -87.489
where: short stacking energy: -70.975
Base-Backbone interact. energy: 0.817
local terms energy: -138.467601
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -38.412
flat angles C4'-P-C4' energy: -25.354
flat angles P-C4'-P energy: -27.570
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -204.140238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.140238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.140238 (E_RNA)
where:
Base-Base interactions energy: -67.838
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.629
local terms energy: -135.672675
where:
bonds (distance) C4'-P energy: -39.821
bonds (distance) P-C4' energy: -41.214
flat angles C4'-P-C4' energy: -33.133
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -203.129834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.129834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.129834 (E_RNA)
where:
Base-Base interactions energy: -91.049
where: short stacking energy: -33.561
Base-Backbone interact. energy: -1.752
local terms energy: -110.328600
where:
bonds (distance) C4'-P energy: -43.383
bonds (distance) P-C4' energy: -37.697
flat angles C4'-P-C4' energy: -29.019
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: 16.257
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: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -643.507053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.507053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.507053 (E_RNA)
where:
Base-Base interactions energy: -415.351
where: short stacking energy: -182.783
Base-Backbone interact. energy: -0.089
local terms energy: -228.067138
where:
bonds (distance) C4'-P energy: -46.113
bonds (distance) P-C4' energy: -47.950
flat angles C4'-P-C4' energy: -45.841
flat angles P-C4'-P energy: -32.325
tors. eta vs tors. theta energy: -55.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -644.920885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.920885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.920885 (E_RNA)
where:
Base-Base interactions energy: -429.711
where: short stacking energy: -189.860
Base-Backbone interact. energy: -0.858
local terms energy: -214.351558
where:
bonds (distance) C4'-P energy: -37.042
bonds (distance) P-C4' energy: -49.876
flat angles C4'-P-C4' energy: -43.469
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -57.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -572.566166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.566166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.566166 (E_RNA)
where:
Base-Base interactions energy: -357.714
where: short stacking energy: -166.333
Base-Backbone interact. energy: -0.421
local terms energy: -214.431572
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -45.671
flat angles C4'-P-C4' energy: -50.859
flat angles P-C4'-P energy: -25.230
tors. eta vs tors. theta energy: -48.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -595.517550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.517550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.517550 (E_RNA)
where:
Base-Base interactions energy: -393.381
where: short stacking energy: -180.403
Base-Backbone interact. energy: 0.653
local terms energy: -202.789671
where:
bonds (distance) C4'-P energy: -36.797
bonds (distance) P-C4' energy: -39.411
flat angles C4'-P-C4' energy: -41.330
flat angles P-C4'-P energy: -28.637
tors. eta vs tors. theta energy: -56.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -457.887492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.887492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.887492 (E_RNA)
where:
Base-Base interactions energy: -270.301
where: short stacking energy: -128.540
Base-Backbone interact. energy: -0.317
local terms energy: -187.269418
where:
bonds (distance) C4'-P energy: -42.650
bonds (distance) P-C4' energy: -39.096
flat angles C4'-P-C4' energy: -39.931
flat angles P-C4'-P energy: -30.560
tors. eta vs tors. theta energy: -35.031
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: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -346.002021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.002021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.002021 (E_RNA)
where:
Base-Base interactions energy: -178.503
where: short stacking energy: -104.114
Base-Backbone interact. energy: 0.116
local terms energy: -167.614605
where:
bonds (distance) C4'-P energy: -46.114
bonds (distance) P-C4' energy: -40.426
flat angles C4'-P-C4' energy: -40.631
flat angles P-C4'-P energy: -18.546
tors. eta vs tors. theta energy: -21.897
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: 7, replica: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -281.033297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.033297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.033297 (E_RNA)
where:
Base-Base interactions energy: -148.151
where: short stacking energy: -69.391
Base-Backbone interact. energy: -0.543
local terms energy: -132.338836
where:
bonds (distance) C4'-P energy: -33.675
bonds (distance) P-C4' energy: -47.013
flat angles C4'-P-C4' energy: -38.408
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: 1.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -208.625790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.625790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.625790 (E_RNA)
where:
Base-Base interactions energy: -89.670
where: short stacking energy: -80.942
Base-Backbone interact. energy: 0.398
local terms energy: -119.354277
where:
bonds (distance) C4'-P energy: -30.599
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -31.930
flat angles P-C4'-P energy: -18.447
tors. eta vs tors. theta energy: -4.396
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: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -198.418267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.418267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.418267 (E_RNA)
where:
Base-Base interactions energy: -66.458
where: short stacking energy: -59.637
Base-Backbone interact. energy: -0.728
local terms energy: -131.231388
where:
bonds (distance) C4'-P energy: -39.311
bonds (distance) P-C4' energy: -39.173
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -21.175
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -183.754055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.754055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.754055 (E_RNA)
where:
Base-Base interactions energy: -57.995
where: short stacking energy: -50.554
Base-Backbone interact. energy: 0.117
local terms energy: -125.876001
where:
bonds (distance) C4'-P energy: -38.462
bonds (distance) P-C4' energy: -42.166
flat angles C4'-P-C4' energy: -32.027
flat angles P-C4'-P energy: -20.922
tors. eta vs tors. theta energy: 7.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -647.755875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.755875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.755875 (E_RNA)
where:
Base-Base interactions energy: -423.686
where: short stacking energy: -191.460
Base-Backbone interact. energy: -0.178
local terms energy: -223.892214
where:
bonds (distance) C4'-P energy: -43.310
bonds (distance) P-C4' energy: -44.623
flat angles C4'-P-C4' energy: -48.992
flat angles P-C4'-P energy: -30.601
tors. eta vs tors. theta energy: -56.366
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: 223
Temperature: 0.950000
Total energy: -626.962261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.962261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.962261 (E_RNA)
where:
Base-Base interactions energy: -420.539
where: short stacking energy: -193.814
Base-Backbone interact. energy: -0.283
local terms energy: -206.140093
where:
bonds (distance) C4'-P energy: -32.482
bonds (distance) P-C4' energy: -44.957
flat angles C4'-P-C4' energy: -45.837
flat angles P-C4'-P energy: -29.454
tors. eta vs tors. theta energy: -53.411
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: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -576.636992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.636992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.636992 (E_RNA)
where:
Base-Base interactions energy: -365.437
where: short stacking energy: -181.162
Base-Backbone interact. energy: -0.264
local terms energy: -210.935680
where:
bonds (distance) C4'-P energy: -40.648
bonds (distance) P-C4' energy: -41.583
flat angles C4'-P-C4' energy: -43.166
flat angles P-C4'-P energy: -31.255
tors. eta vs tors. theta energy: -54.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -589.864945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.864945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.864945 (E_RNA)
where:
Base-Base interactions energy: -386.389
where: short stacking energy: -168.324
Base-Backbone interact. energy: -0.991
local terms energy: -202.484525
where:
bonds (distance) C4'-P energy: -41.219
bonds (distance) P-C4' energy: -37.550
flat angles C4'-P-C4' energy: -41.043
flat angles P-C4'-P energy: -35.770
tors. eta vs tors. theta energy: -46.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -448.249414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.249414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.249414 (E_RNA)
where:
Base-Base interactions energy: -272.263
where: short stacking energy: -126.024
Base-Backbone interact. energy: -0.498
local terms energy: -175.488612
where:
bonds (distance) C4'-P energy: -38.940
bonds (distance) P-C4' energy: -42.397
flat angles C4'-P-C4' energy: -35.290
flat angles P-C4'-P energy: -27.110
tors. eta vs tors. theta energy: -31.753
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: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -320.242292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.242292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.242292 (E_RNA)
where:
Base-Base interactions energy: -171.152
where: short stacking energy: -102.394
Base-Backbone interact. energy: -0.189
local terms energy: -148.901722
where:
bonds (distance) C4'-P energy: -38.139
bonds (distance) P-C4' energy: -41.162
flat angles C4'-P-C4' energy: -41.488
flat angles P-C4'-P energy: -17.844
tors. eta vs tors. theta energy: -10.269
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: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -213.790825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.790825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.790825 (E_RNA)
where:
Base-Base interactions energy: -89.397
where: short stacking energy: -68.777
Base-Backbone interact. energy: 0.149
local terms energy: -124.543450
where:
bonds (distance) C4'-P energy: -34.768
bonds (distance) P-C4' energy: -35.237
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -2.610
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: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -199.937192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.937192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.937192 (E_RNA)
where:
Base-Base interactions energy: -71.499
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.395
local terms energy: -128.042342
where:
bonds (distance) C4'-P energy: -42.934
bonds (distance) P-C4' energy: -35.447
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -3.301
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: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -190.657440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.657440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.657440 (E_RNA)
where:
Base-Base interactions energy: -72.372
where: short stacking energy: -62.011
Base-Backbone interact. energy: -0.938
local terms energy: -117.348185
where:
bonds (distance) C4'-P energy: -27.638
bonds (distance) P-C4' energy: -37.333
flat angles C4'-P-C4' energy: -31.845
flat angles P-C4'-P energy: -18.863
tors. eta vs tors. theta energy: -1.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -183.716081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.716081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.716081 (E_RNA)
where:
Base-Base interactions energy: -51.875
where: short stacking energy: -41.636
Base-Backbone interact. energy: -0.535
local terms energy: -131.306171
where:
bonds (distance) C4'-P energy: -35.757
bonds (distance) P-C4' energy: -33.605
flat angles C4'-P-C4' energy: -36.061
flat angles P-C4'-P energy: -30.043
tors. eta vs tors. theta energy: 4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -650.724407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.724407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.724407 (E_RNA)
where:
Base-Base interactions energy: -433.050
where: short stacking energy: -204.885
Base-Backbone interact. energy: -0.976
local terms energy: -216.697925
where:
bonds (distance) C4'-P energy: -38.918
bonds (distance) P-C4' energy: -40.437
flat angles C4'-P-C4' energy: -49.674
flat angles P-C4'-P energy: -29.845
tors. eta vs tors. theta energy: -57.824
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: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -640.258282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.258282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.258282 (E_RNA)
where:
Base-Base interactions energy: -413.398
where: short stacking energy: -199.368
Base-Backbone interact. energy: -0.791
local terms energy: -226.069477
where:
bonds (distance) C4'-P energy: -45.876
bonds (distance) P-C4' energy: -37.464
flat angles C4'-P-C4' energy: -47.683
flat angles P-C4'-P energy: -36.055
tors. eta vs tors. theta energy: -58.991
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: 4
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -581.636115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.636115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.636115 (E_RNA)
where:
Base-Base interactions energy: -363.309
where: short stacking energy: -182.396
Base-Backbone interact. energy: -0.669
local terms energy: -217.658186
where:
bonds (distance) C4'-P energy: -45.205
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -49.856
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -48.427
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: 224
Temperature: 1.050000
Total energy: -595.561039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.561039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.561039 (E_RNA)
where:
Base-Base interactions energy: -375.969
where: short stacking energy: -176.236
Base-Backbone interact. energy: -2.807
local terms energy: -216.785653
where:
bonds (distance) C4'-P energy: -42.378
bonds (distance) P-C4' energy: -43.651
flat angles C4'-P-C4' energy: -46.337
flat angles P-C4'-P energy: -34.854
tors. eta vs tors. theta energy: -49.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -458.187929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.187929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.187929 (E_RNA)
where:
Base-Base interactions energy: -273.451
where: short stacking energy: -143.834
Base-Backbone interact. energy: -0.477
local terms energy: -184.260065
where:
bonds (distance) C4'-P energy: -39.919
bonds (distance) P-C4' energy: -42.753
flat angles C4'-P-C4' energy: -35.803
flat angles P-C4'-P energy: -33.178
tors. eta vs tors. theta energy: -32.608
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: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -310.718907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.718907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.718907 (E_RNA)
where:
Base-Base interactions energy: -152.339
where: short stacking energy: -81.162
Base-Backbone interact. energy: 2.747
local terms energy: -161.126593
where:
bonds (distance) C4'-P energy: -44.385
bonds (distance) P-C4' energy: -40.425
flat angles C4'-P-C4' energy: -34.231
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: -16.477
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: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -254.454325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.454325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.454325 (E_RNA)
where:
Base-Base interactions energy: -102.910
where: short stacking energy: -96.143
Base-Backbone interact. energy: -0.748
local terms energy: -150.796863
where:
bonds (distance) C4'-P energy: -37.603
bonds (distance) P-C4' energy: -45.218
flat angles C4'-P-C4' energy: -35.916
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -10.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -210.213694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.213694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.213694 (E_RNA)
where:
Base-Base interactions energy: -104.532
where: short stacking energy: -86.851
Base-Backbone interact. energy: 0.790
local terms energy: -106.472261
where:
bonds (distance) C4'-P energy: -22.270
bonds (distance) P-C4' energy: -34.038
flat angles C4'-P-C4' energy: -35.271
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: 1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -206.905429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.905429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.905429 (E_RNA)
where:
Base-Base interactions energy: -79.739
where: short stacking energy: -46.002
Base-Backbone interact. energy: -1.039
local terms energy: -126.128320
where:
bonds (distance) C4'-P energy: -35.400
bonds (distance) P-C4' energy: -39.642
flat angles C4'-P-C4' energy: -36.885
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: 5.583
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: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -173.325333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.325333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.325333 (E_RNA)
where:
Base-Base interactions energy: -53.422
where: short stacking energy: -46.463
Base-Backbone interact. energy: -0.657
local terms energy: -119.246311
where:
bonds (distance) C4'-P energy: -32.322
bonds (distance) P-C4' energy: -45.371
flat angles C4'-P-C4' energy: -24.916
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: 5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -653.301154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.301154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.301154 (E_RNA)
where:
Base-Base interactions energy: -430.476
where: short stacking energy: -190.790
Base-Backbone interact. energy: 1.061
local terms energy: -223.885836
where:
bonds (distance) C4'-P energy: -41.796
bonds (distance) P-C4' energy: -43.816
flat angles C4'-P-C4' energy: -45.460
flat angles P-C4'-P energy: -35.821
tors. eta vs tors. theta energy: -56.994
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: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -627.603981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.603981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.603981 (E_RNA)
where:
Base-Base interactions energy: -395.950
where: short stacking energy: -196.250
Base-Backbone interact. energy: -1.693
local terms energy: -229.960605
where:
bonds (distance) C4'-P energy: -43.980
bonds (distance) P-C4' energy: -42.583
flat angles C4'-P-C4' energy: -53.991
flat angles P-C4'-P energy: -31.669
tors. eta vs tors. theta energy: -57.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -545.342579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.342579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.342579 (E_RNA)
where:
Base-Base interactions energy: -354.631
where: short stacking energy: -168.190
Base-Backbone interact. energy: -0.429
local terms energy: -190.282658
where:
bonds (distance) C4'-P energy: -42.134
bonds (distance) P-C4' energy: -38.903
flat angles C4'-P-C4' energy: -36.921
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: -40.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -553.614810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.614810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.614810 (E_RNA)
where:
Base-Base interactions energy: -362.278
where: short stacking energy: -168.654
Base-Backbone interact. energy: -1.340
local terms energy: -189.996241
where:
bonds (distance) C4'-P energy: -36.462
bonds (distance) P-C4' energy: -45.680
flat angles C4'-P-C4' energy: -35.331
flat angles P-C4'-P energy: -29.246
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: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -468.727206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.727206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.727206 (E_RNA)
where:
Base-Base interactions energy: -284.913
where: short stacking energy: -144.041
Base-Backbone interact. energy: -1.270
local terms energy: -182.544703
where:
bonds (distance) C4'-P energy: -45.828
bonds (distance) P-C4' energy: -39.105
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -31.872
tors. eta vs tors. theta energy: -35.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -352.617926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.617926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.617926 (E_RNA)
where:
Base-Base interactions energy: -190.692
where: short stacking energy: -113.401
Base-Backbone interact. energy: -1.220
local terms energy: -160.706466
where:
bonds (distance) C4'-P energy: -32.867
bonds (distance) P-C4' energy: -43.842
flat angles C4'-P-C4' energy: -42.706
flat angles P-C4'-P energy: -24.085
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -233.912254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.912254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.912254 (E_RNA)
where:
Base-Base interactions energy: -85.942
where: short stacking energy: -57.799
Base-Backbone interact. energy: -0.946
local terms energy: -147.024821
where:
bonds (distance) C4'-P energy: -44.701
bonds (distance) P-C4' energy: -33.808
flat angles C4'-P-C4' energy: -37.969
flat angles P-C4'-P energy: -25.062
tors. eta vs tors. theta energy: -5.485
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: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -221.117939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.117939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.117939 (E_RNA)
where:
Base-Base interactions energy: -76.947
where: short stacking energy: -55.228
Base-Backbone interact. energy: -0.511
local terms energy: -143.659983
where:
bonds (distance) C4'-P energy: -36.697
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -35.647
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -14.868
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: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -242.513526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.513526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.513526 (E_RNA)
where:
Base-Base interactions energy: -106.914
where: short stacking energy: -74.123
Base-Backbone interact. energy: -1.053
local terms energy: -134.546715
where:
bonds (distance) C4'-P energy: -26.264
bonds (distance) P-C4' energy: -39.793
flat angles C4'-P-C4' energy: -38.980
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -8.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -177.738318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.738318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.738318 (E_RNA)
where:
Base-Base interactions energy: -66.529
where: short stacking energy: -64.216
Base-Backbone interact. energy: 0.377
local terms energy: -111.586059
where:
bonds (distance) C4'-P energy: -31.385
bonds (distance) P-C4' energy: -45.443
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -16.486
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: 1, replica: 5
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -653.575872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.575872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.575872 (E_RNA)
where:
Base-Base interactions energy: -445.180
where: short stacking energy: -210.646
Base-Backbone interact. energy: -0.305
local terms energy: -208.090722
where:
bonds (distance) C4'-P energy: -39.163
bonds (distance) P-C4' energy: -45.597
flat angles C4'-P-C4' energy: -35.552
flat angles P-C4'-P energy: -30.315
tors. eta vs tors. theta energy: -57.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -642.096771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.096771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.096771 (E_RNA)
where:
Base-Base interactions energy: -417.115
where: short stacking energy: -196.891
Base-Backbone interact. energy: 0.442
local terms energy: -225.423922
where:
bonds (distance) C4'-P energy: -45.464
bonds (distance) P-C4' energy: -41.548
flat angles C4'-P-C4' energy: -47.930
flat angles P-C4'-P energy: -35.008
tors. eta vs tors. theta energy: -55.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -536.857073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.857073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.857073 (E_RNA)
where:
Base-Base interactions energy: -335.776
where: short stacking energy: -152.718
Base-Backbone interact. energy: -0.512
local terms energy: -200.569202
where:
bonds (distance) C4'-P energy: -39.557
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -44.552
flat angles P-C4'-P energy: -26.656
tors. eta vs tors. theta energy: -44.199
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: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -557.268175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.268175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.268175 (E_RNA)
where:
Base-Base interactions energy: -353.708
where: short stacking energy: -170.745
Base-Backbone interact. energy: 0.014
local terms energy: -203.573491
where:
bonds (distance) C4'-P energy: -46.596
bonds (distance) P-C4' energy: -32.376
flat angles C4'-P-C4' energy: -49.851
flat angles P-C4'-P energy: -29.335
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: 5, replica: 7
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -453.953785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.953785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.953785 (E_RNA)
where:
Base-Base interactions energy: -268.075
where: short stacking energy: -133.140
Base-Backbone interact. energy: -0.641
local terms energy: -185.237715
where:
bonds (distance) C4'-P energy: -44.756
bonds (distance) P-C4' energy: -38.766
flat angles C4'-P-C4' energy: -41.254
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: -34.988
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: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -339.495323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.495323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.495323 (E_RNA)
where:
Base-Base interactions energy: -171.556
where: short stacking energy: -103.414
Base-Backbone interact. energy: 0.460
local terms energy: -168.398551
where:
bonds (distance) C4'-P energy: -44.215
bonds (distance) P-C4' energy: -36.438
flat angles C4'-P-C4' energy: -41.316
flat angles P-C4'-P energy: -26.539
tors. eta vs tors. theta energy: -19.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -300.098539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.098539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.098539 (E_RNA)
where:
Base-Base interactions energy: -148.293
where: short stacking energy: -85.205
Base-Backbone interact. energy: -0.885
local terms energy: -150.920781
where:
bonds (distance) C4'-P energy: -47.596
bonds (distance) P-C4' energy: -33.182
flat angles C4'-P-C4' energy: -39.445
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -250.007786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.007786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.007786 (E_RNA)
where:
Base-Base interactions energy: -114.277
where: short stacking energy: -76.506
Base-Backbone interact. energy: 0.008
local terms energy: -135.738597
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -41.523
flat angles C4'-P-C4' energy: -31.017
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -196.433575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.433575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.433575 (E_RNA)
where:
Base-Base interactions energy: -69.933
where: short stacking energy: -59.487
Base-Backbone interact. energy: -0.409
local terms energy: -126.091619
where:
bonds (distance) C4'-P energy: -38.455
bonds (distance) P-C4' energy: -45.084
flat angles C4'-P-C4' energy: -31.708
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -1.713
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: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -185.130671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.130671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.130671 (E_RNA)
where:
Base-Base interactions energy: -67.039
where: short stacking energy: -69.170
Base-Backbone interact. energy: -0.255
local terms energy: -117.837284
where:
bonds (distance) C4'-P energy: -41.147
bonds (distance) P-C4' energy: -28.486
flat angles C4'-P-C4' energy: -29.005
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -8.086
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: 5
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -645.181748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.181748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.181748 (E_RNA)
where:
Base-Base interactions energy: -428.845
where: short stacking energy: -199.812
Base-Backbone interact. energy: 0.339
local terms energy: -216.675757
where:
bonds (distance) C4'-P energy: -46.390
bonds (distance) P-C4' energy: -47.282
flat angles C4'-P-C4' energy: -43.888
flat angles P-C4'-P energy: -30.119
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: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -629.495190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.495190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.495190 (E_RNA)
where:
Base-Base interactions energy: -402.712
where: short stacking energy: -178.183
Base-Backbone interact. energy: -0.352
local terms energy: -226.431690
where:
bonds (distance) C4'-P energy: -40.396
bonds (distance) P-C4' energy: -48.547
flat angles C4'-P-C4' energy: -48.203
flat angles P-C4'-P energy: -31.047
tors. eta vs tors. theta energy: -58.239
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: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -541.398569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.398569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.398569 (E_RNA)
where:
Base-Base interactions energy: -336.151
where: short stacking energy: -151.341
Base-Backbone interact. energy: -0.265
local terms energy: -204.982157
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -48.754
flat angles C4'-P-C4' energy: -48.218
flat angles P-C4'-P energy: -22.349
tors. eta vs tors. theta energy: -38.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -542.515643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.515643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.515643 (E_RNA)
where:
Base-Base interactions energy: -347.539
where: short stacking energy: -156.788
Base-Backbone interact. energy: -0.817
local terms energy: -194.159782
where:
bonds (distance) C4'-P energy: -43.340
bonds (distance) P-C4' energy: -34.089
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -21.591
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: 7
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -439.220893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.220893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.220893 (E_RNA)
where:
Base-Base interactions energy: -269.656
where: short stacking energy: -144.770
Base-Backbone interact. energy: -0.269
local terms energy: -169.296069
where:
bonds (distance) C4'-P energy: -34.058
bonds (distance) P-C4' energy: -37.240
flat angles C4'-P-C4' energy: -37.111
flat angles P-C4'-P energy: -26.077
tors. eta vs tors. theta energy: -34.810
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: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -360.498961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.498961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.498961 (E_RNA)
where:
Base-Base interactions energy: -195.245
where: short stacking energy: -128.694
Base-Backbone interact. energy: -0.494
local terms energy: -164.760505
where:
bonds (distance) C4'-P energy: -40.098
bonds (distance) P-C4' energy: -39.865
flat angles C4'-P-C4' energy: -38.172
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -26.274
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: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -323.322590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.322590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.322590 (E_RNA)
where:
Base-Base interactions energy: -161.672
where: short stacking energy: -90.371
Base-Backbone interact. energy: -0.860
local terms energy: -160.791368
where:
bonds (distance) C4'-P energy: -39.735
bonds (distance) P-C4' energy: -38.546
flat angles C4'-P-C4' energy: -38.679
flat angles P-C4'-P energy: -25.703
tors. eta vs tors. theta energy: -18.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -215.863496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.863496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.863496 (E_RNA)
where:
Base-Base interactions energy: -84.102
where: short stacking energy: -71.671
Base-Backbone interact. energy: -0.307
local terms energy: -131.454895
where:
bonds (distance) C4'-P energy: -35.504
bonds (distance) P-C4' energy: -40.955
flat angles C4'-P-C4' energy: -30.493
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -202.246215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.246215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.246215 (E_RNA)
where:
Base-Base interactions energy: -75.931
where: short stacking energy: -62.814
Base-Backbone interact. energy: -1.290
local terms energy: -125.026027
where:
bonds (distance) C4'-P energy: -33.392
bonds (distance) P-C4' energy: -38.456
flat angles C4'-P-C4' energy: -31.166
flat angles P-C4'-P energy: -23.412
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: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -193.915959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.915959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.915959 (E_RNA)
where:
Base-Base interactions energy: -60.350
where: short stacking energy: -45.888
Base-Backbone interact. energy: -2.163
local terms energy: -131.403255
where:
bonds (distance) C4'-P energy: -35.351
bonds (distance) P-C4' energy: -44.749
flat angles C4'-P-C4' energy: -34.375
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -642.067432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.067432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.067432 (E_RNA)
where:
Base-Base interactions energy: -417.818
where: short stacking energy: -189.628
Base-Backbone interact. energy: -1.002
local terms energy: -223.247604
where:
bonds (distance) C4'-P energy: -44.884
bonds (distance) P-C4' energy: -42.817
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -28.570
tors. eta vs tors. theta energy: -55.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -646.037977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.037977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.037977 (E_RNA)
where:
Base-Base interactions energy: -421.305
where: short stacking energy: -198.886
Base-Backbone interact. energy: -0.357
local terms energy: -224.375618
where:
bonds (distance) C4'-P energy: -48.799
bonds (distance) P-C4' energy: -40.851
flat angles C4'-P-C4' energy: -42.594
flat angles P-C4'-P energy: -35.255
tors. eta vs tors. theta energy: -56.877
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: 228
Temperature: 1.000000
Total energy: -555.362792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.362792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.362792 (E_RNA)
where:
Base-Base interactions energy: -357.661
where: short stacking energy: -173.275
Base-Backbone interact. energy: -0.254
local terms energy: -197.447854
where:
bonds (distance) C4'-P energy: -35.450
bonds (distance) P-C4' energy: -41.852
flat angles C4'-P-C4' energy: -41.626
flat angles P-C4'-P energy: -31.853
tors. eta vs tors. theta energy: -46.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -555.148993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.148993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.148993 (E_RNA)
where:
Base-Base interactions energy: -365.383
where: short stacking energy: -152.496
Base-Backbone interact. energy: -0.439
local terms energy: -189.326946
where:
bonds (distance) C4'-P energy: -37.666
bonds (distance) P-C4' energy: -40.746
flat angles C4'-P-C4' energy: -36.424
flat angles P-C4'-P energy: -29.146
tors. eta vs tors. theta energy: -45.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -354.781674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.781674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.781674 (E_RNA)
where:
Base-Base interactions energy: -181.924
where: short stacking energy: -110.748
Base-Backbone interact. energy: -0.027
local terms energy: -172.830816
where:
bonds (distance) C4'-P energy: -32.032
bonds (distance) P-C4' energy: -42.704
flat angles C4'-P-C4' energy: -45.540
flat angles P-C4'-P energy: -30.354
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -376.947232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.947232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.947232 (E_RNA)
where:
Base-Base interactions energy: -225.171
where: short stacking energy: -119.974
Base-Backbone interact. energy: -0.123
local terms energy: -151.653380
where:
bonds (distance) C4'-P energy: -32.082
bonds (distance) P-C4' energy: -38.688
flat angles C4'-P-C4' energy: -42.314
flat angles P-C4'-P energy: -18.254
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -296.968248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.968248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.968248 (E_RNA)
where:
Base-Base interactions energy: -152.159
where: short stacking energy: -73.154
Base-Backbone interact. energy: 0.325
local terms energy: -145.134110
where:
bonds (distance) C4'-P energy: -39.992
bonds (distance) P-C4' energy: -32.970
flat angles C4'-P-C4' energy: -39.121
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -207.921077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.921077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.921077 (E_RNA)
where:
Base-Base interactions energy: -82.495
where: short stacking energy: -65.828
Base-Backbone interact. energy: 0.575
local terms energy: -126.001254
where:
bonds (distance) C4'-P energy: -38.915
bonds (distance) P-C4' energy: -41.923
flat angles C4'-P-C4' energy: -37.158
flat angles P-C4'-P energy: -16.780
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: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -193.079651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.079651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.079651 (E_RNA)
where:
Base-Base interactions energy: -50.417
where: short stacking energy: -49.252
Base-Backbone interact. energy: -1.286
local terms energy: -141.377004
where:
bonds (distance) C4'-P energy: -40.668
bonds (distance) P-C4' energy: -42.555
flat angles C4'-P-C4' energy: -43.609
flat angles P-C4'-P energy: -18.450
tors. eta vs tors. theta energy: 3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -177.921770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.921770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.921770 (E_RNA)
where:
Base-Base interactions energy: -51.696
where: short stacking energy: -46.972
Base-Backbone interact. energy: 2.570
local terms energy: -128.796018
where:
bonds (distance) C4'-P energy: -42.108
bonds (distance) P-C4' energy: -44.069
flat angles C4'-P-C4' energy: -36.423
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: 2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -632.789977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.789977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.789977 (E_RNA)
where:
Base-Base interactions energy: -414.045
where: short stacking energy: -192.444
Base-Backbone interact. energy: 0.328
local terms energy: -219.073091
where:
bonds (distance) C4'-P energy: -46.814
bonds (distance) P-C4' energy: -38.033
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -29.983
tors. eta vs tors. theta energy: -58.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -647.737509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.737509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.737509 (E_RNA)
where:
Base-Base interactions energy: -438.950
where: short stacking energy: -215.590
Base-Backbone interact. energy: -0.174
local terms energy: -208.613092
where:
bonds (distance) C4'-P energy: -36.996
bonds (distance) P-C4' energy: -36.811
flat angles C4'-P-C4' energy: -44.189
flat angles P-C4'-P energy: -29.413
tors. eta vs tors. theta energy: -61.204
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: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -572.805898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.805898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.805898 (E_RNA)
where:
Base-Base interactions energy: -355.484
where: short stacking energy: -163.975
Base-Backbone interact. energy: 0.325
local terms energy: -217.646958
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -49.715
flat angles C4'-P-C4' energy: -46.562
flat angles P-C4'-P energy: -24.922
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: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -564.556812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.556812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.556812 (E_RNA)
where:
Base-Base interactions energy: -350.869
where: short stacking energy: -165.871
Base-Backbone interact. energy: -0.313
local terms energy: -213.374589
where:
bonds (distance) C4'-P energy: -40.921
bonds (distance) P-C4' energy: -42.921
flat angles C4'-P-C4' energy: -49.931
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -43.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -371.977921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.977921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.977921 (E_RNA)
where:
Base-Base interactions energy: -207.969
where: short stacking energy: -113.750
Base-Backbone interact. energy: -2.403
local terms energy: -161.605747
where:
bonds (distance) C4'-P energy: -45.791
bonds (distance) P-C4' energy: -40.608
flat angles C4'-P-C4' energy: -28.977
flat angles P-C4'-P energy: -20.759
tors. eta vs tors. theta energy: -25.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -401.169193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.169193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.169193 (E_RNA)
where:
Base-Base interactions energy: -232.241
where: short stacking energy: -108.192
Base-Backbone interact. energy: -0.464
local terms energy: -168.463540
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -44.998
flat angles C4'-P-C4' energy: -34.717
flat angles P-C4'-P energy: -28.616
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -290.432231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.432231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.432231 (E_RNA)
where:
Base-Base interactions energy: -140.442
where: short stacking energy: -80.816
Base-Backbone interact. energy: -0.423
local terms energy: -149.567885
where:
bonds (distance) C4'-P energy: -44.905
bonds (distance) P-C4' energy: -34.126
flat angles C4'-P-C4' energy: -40.483
flat angles P-C4'-P energy: -24.566
tors. eta vs tors. theta energy: -5.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -227.678229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.678229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.678229 (E_RNA)
where:
Base-Base interactions energy: -78.020
where: short stacking energy: -64.663
Base-Backbone interact. energy: -1.085
local terms energy: -148.573761
where:
bonds (distance) C4'-P energy: -36.127
bonds (distance) P-C4' energy: -45.058
flat angles C4'-P-C4' energy: -39.193
flat angles P-C4'-P energy: -27.112
tors. eta vs tors. theta energy: -1.083
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: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -236.434462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.434462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.434462 (E_RNA)
where:
Base-Base interactions energy: -113.769
where: short stacking energy: -62.107
Base-Backbone interact. energy: 1.883
local terms energy: -124.548446
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -35.735
flat angles C4'-P-C4' energy: -26.399
flat angles P-C4'-P energy: -27.247
tors. eta vs tors. theta energy: 0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -183.639450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.639450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.639450 (E_RNA)
where:
Base-Base interactions energy: -73.812
where: short stacking energy: -68.237
Base-Backbone interact. energy: -0.906
local terms energy: -108.922021
where:
bonds (distance) C4'-P energy: -35.792
bonds (distance) P-C4' energy: -30.879
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -4.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -661.252087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.252087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.252087 (E_RNA)
where:
Base-Base interactions energy: -440.262
where: short stacking energy: -197.060
Base-Backbone interact. energy: -0.102
local terms energy: -220.887766
where:
bonds (distance) C4'-P energy: -43.406
bonds (distance) P-C4' energy: -42.585
flat angles C4'-P-C4' energy: -48.643
flat angles P-C4'-P energy: -31.647
tors. eta vs tors. theta energy: -54.606
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: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -642.507117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.507117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.507117 (E_RNA)
where:
Base-Base interactions energy: -416.596
where: short stacking energy: -198.761
Base-Backbone interact. energy: -1.113
local terms energy: -224.798333
where:
bonds (distance) C4'-P energy: -39.651
bonds (distance) P-C4' energy: -43.669
flat angles C4'-P-C4' energy: -49.471
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -59.821
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: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -575.179586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.179586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.179586 (E_RNA)
where:
Base-Base interactions energy: -406.219
where: short stacking energy: -186.803
Base-Backbone interact. energy: 0.428
local terms energy: -169.387950
where:
bonds (distance) C4'-P energy: -32.630
bonds (distance) P-C4' energy: -33.495
flat angles C4'-P-C4' energy: -35.051
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -44.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -573.814202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.814202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.814202 (E_RNA)
where:
Base-Base interactions energy: -366.186
where: short stacking energy: -184.804
Base-Backbone interact. energy: -1.750
local terms energy: -205.878041
where:
bonds (distance) C4'-P energy: -34.553
bonds (distance) P-C4' energy: -41.697
flat angles C4'-P-C4' energy: -45.159
flat angles P-C4'-P energy: -29.483
tors. eta vs tors. theta energy: -54.986
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: 5, replica: 7
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -413.119950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.119950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.119950 (E_RNA)
where:
Base-Base interactions energy: -253.635
where: short stacking energy: -115.664
Base-Backbone interact. energy: -0.260
local terms energy: -159.225187
where:
bonds (distance) C4'-P energy: -39.085
bonds (distance) P-C4' energy: -41.506
flat angles C4'-P-C4' energy: -34.498
flat angles P-C4'-P energy: -21.467
tors. eta vs tors. theta energy: -22.669
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: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -370.885958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.885958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.885958 (E_RNA)
where:
Base-Base interactions energy: -210.718
where: short stacking energy: -121.558
Base-Backbone interact. energy: -0.802
local terms energy: -159.365765
where:
bonds (distance) C4'-P energy: -43.537
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -24.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -316.756692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.756692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.756692 (E_RNA)
where:
Base-Base interactions energy: -173.986
where: short stacking energy: -103.869
Base-Backbone interact. energy: -0.697
local terms energy: -142.073653
where:
bonds (distance) C4'-P energy: -41.260
bonds (distance) P-C4' energy: -33.962
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -24.582
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: 8, replica: 2
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -222.794160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.794160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.794160 (E_RNA)
where:
Base-Base interactions energy: -82.293
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.531
local terms energy: -139.969885
where:
bonds (distance) C4'-P energy: -41.505
bonds (distance) P-C4' energy: -38.054
flat angles C4'-P-C4' energy: -29.435
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -181.418813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.418813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.418813 (E_RNA)
where:
Base-Base interactions energy: -61.497
where: short stacking energy: -58.976
Base-Backbone interact. energy: 0.558
local terms energy: -120.479150
where:
bonds (distance) C4'-P energy: -32.795
bonds (distance) P-C4' energy: -47.692
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: 1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -229.924318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.924318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.924318 (E_RNA)
where:
Base-Base interactions energy: -105.652
where: short stacking energy: -64.074
Base-Backbone interact. energy: 0.521
local terms energy: -124.793466
where:
bonds (distance) C4'-P energy: -41.877
bonds (distance) P-C4' energy: -31.898
flat angles C4'-P-C4' energy: -31.166
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -8.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -659.336213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.336213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.336213 (E_RNA)
where:
Base-Base interactions energy: -429.521
where: short stacking energy: -202.293
Base-Backbone interact. energy: -0.409
local terms energy: -229.406978
where:
bonds (distance) C4'-P energy: -45.205
bonds (distance) P-C4' energy: -47.069
flat angles C4'-P-C4' energy: -47.277
flat angles P-C4'-P energy: -34.215
tors. eta vs tors. theta energy: -55.641
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: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -632.407451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.407451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.407451 (E_RNA)
where:
Base-Base interactions energy: -415.585
where: short stacking energy: -199.849
Base-Backbone interact. energy: -1.069
local terms energy: -215.753307
where:
bonds (distance) C4'-P energy: -34.945
bonds (distance) P-C4' energy: -38.415
flat angles C4'-P-C4' energy: -45.371
flat angles P-C4'-P energy: -35.376
tors. eta vs tors. theta energy: -61.646
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: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -572.289748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.289748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.289748 (E_RNA)
where:
Base-Base interactions energy: -369.156
where: short stacking energy: -164.718
Base-Backbone interact. energy: -0.570
local terms energy: -202.563799
where:
bonds (distance) C4'-P energy: -37.800
bonds (distance) P-C4' energy: -39.564
flat angles C4'-P-C4' energy: -45.379
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -52.293
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: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -552.243100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.243100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.243100 (E_RNA)
where:
Base-Base interactions energy: -348.696
where: short stacking energy: -162.345
Base-Backbone interact. energy: -0.105
local terms energy: -203.441901
where:
bonds (distance) C4'-P energy: -40.072
bonds (distance) P-C4' energy: -41.631
flat angles C4'-P-C4' energy: -49.398
flat angles P-C4'-P energy: -31.483
tors. eta vs tors. theta energy: -40.857
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: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -404.589713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.589713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.589713 (E_RNA)
where:
Base-Base interactions energy: -245.365
where: short stacking energy: -123.428
Base-Backbone interact. energy: -0.383
local terms energy: -158.841419
where:
bonds (distance) C4'-P energy: -39.958
bonds (distance) P-C4' energy: -34.327
flat angles C4'-P-C4' energy: -43.848
flat angles P-C4'-P energy: -17.213
tors. eta vs tors. theta energy: -23.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -374.914061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.914061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.914061 (E_RNA)
where:
Base-Base interactions energy: -196.910
where: short stacking energy: -110.868
Base-Backbone interact. energy: 0.794
local terms energy: -178.798847
where:
bonds (distance) C4'-P energy: -40.845
bonds (distance) P-C4' energy: -40.337
flat angles C4'-P-C4' energy: -42.984
flat angles P-C4'-P energy: -30.840
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -310.188764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.188764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.188764 (E_RNA)
where:
Base-Base interactions energy: -165.207
where: short stacking energy: -97.668
Base-Backbone interact. energy: -0.020
local terms energy: -144.962130
where:
bonds (distance) C4'-P energy: -40.685
bonds (distance) P-C4' energy: -36.777
flat angles C4'-P-C4' energy: -36.271
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -208.749891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.749891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.749891 (E_RNA)
where:
Base-Base interactions energy: -87.841
where: short stacking energy: -82.491
Base-Backbone interact. energy: -0.630
local terms energy: -120.279333
where:
bonds (distance) C4'-P energy: -29.425
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -24.966
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -192.462225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.462225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.462225 (E_RNA)
where:
Base-Base interactions energy: -66.152
where: short stacking energy: -60.374
Base-Backbone interact. energy: -0.224
local terms energy: -126.086882
where:
bonds (distance) C4'-P energy: -32.502
bonds (distance) P-C4' energy: -43.768
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -184.812446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.812446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.812446 (E_RNA)
where:
Base-Base interactions energy: -60.222
where: short stacking energy: -41.240
Base-Backbone interact. energy: 3.688
local terms energy: -128.278099
where:
bonds (distance) C4'-P energy: -39.851
bonds (distance) P-C4' energy: -43.119
flat angles C4'-P-C4' energy: -36.287
flat angles P-C4'-P energy: -21.333
tors. eta vs tors. theta energy: 12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -644.880887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.880887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.880887 (E_RNA)
where:
Base-Base interactions energy: -430.800
where: short stacking energy: -195.697
Base-Backbone interact. energy: -0.716
local terms energy: -213.364537
where:
bonds (distance) C4'-P energy: -37.785
bonds (distance) P-C4' energy: -40.277
flat angles C4'-P-C4' energy: -46.778
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -55.091
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: 5
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -636.829954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.829954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.829954 (E_RNA)
where:
Base-Base interactions energy: -420.546
where: short stacking energy: -192.492
Base-Backbone interact. energy: -0.149
local terms energy: -216.134749
where:
bonds (distance) C4'-P energy: -36.714
bonds (distance) P-C4' energy: -46.591
flat angles C4'-P-C4' energy: -46.391
flat angles P-C4'-P energy: -29.002
tors. eta vs tors. theta energy: -57.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -569.734762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.734762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.734762 (E_RNA)
where:
Base-Base interactions energy: -369.163
where: short stacking energy: -184.258
Base-Backbone interact. energy: -0.789
local terms energy: -199.782570
where:
bonds (distance) C4'-P energy: -34.709
bonds (distance) P-C4' energy: -43.163
flat angles C4'-P-C4' energy: -38.772
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: -53.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -542.557610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.557610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.557610 (E_RNA)
where:
Base-Base interactions energy: -345.082
where: short stacking energy: -158.693
Base-Backbone interact. energy: -0.686
local terms energy: -196.789664
where:
bonds (distance) C4'-P energy: -34.989
bonds (distance) P-C4' energy: -40.718
flat angles C4'-P-C4' energy: -47.988
flat angles P-C4'-P energy: -30.571
tors. eta vs tors. theta energy: -42.524
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: 7
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -440.975811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.975811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.975811 (E_RNA)
where:
Base-Base interactions energy: -253.667
where: short stacking energy: -133.722
Base-Backbone interact. energy: -0.488
local terms energy: -186.821494
where:
bonds (distance) C4'-P energy: -41.594
bonds (distance) P-C4' energy: -44.073
flat angles C4'-P-C4' energy: -45.560
flat angles P-C4'-P energy: -30.549
tors. eta vs tors. theta energy: -25.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -382.618026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.618026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.618026 (E_RNA)
where:
Base-Base interactions energy: -208.297
where: short stacking energy: -121.104
Base-Backbone interact. energy: 0.046
local terms energy: -174.367145
where:
bonds (distance) C4'-P energy: -36.471
bonds (distance) P-C4' energy: -41.733
flat angles C4'-P-C4' energy: -43.605
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: -24.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -323.315469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.315469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.315469 (E_RNA)
where:
Base-Base interactions energy: -167.322
where: short stacking energy: -112.326
Base-Backbone interact. energy: -0.437
local terms energy: -155.556789
where:
bonds (distance) C4'-P energy: -30.688
bonds (distance) P-C4' energy: -40.045
flat angles C4'-P-C4' energy: -40.854
flat angles P-C4'-P energy: -24.021
tors. eta vs tors. theta energy: -19.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -209.663963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.663963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.663963 (E_RNA)
where:
Base-Base interactions energy: -74.656
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.373
local terms energy: -134.634590
where:
bonds (distance) C4'-P energy: -33.276
bonds (distance) P-C4' energy: -42.355
flat angles C4'-P-C4' energy: -34.729
flat angles P-C4'-P energy: -19.264
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -247.973885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.973885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.973885 (E_RNA)
where:
Base-Base interactions energy: -110.075
where: short stacking energy: -70.050
Base-Backbone interact. energy: -0.102
local terms energy: -137.797259
where:
bonds (distance) C4'-P energy: -38.956
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -31.306
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -0.931
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: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -191.097363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.097363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.097363 (E_RNA)
where:
Base-Base interactions energy: -61.824
where: short stacking energy: -50.213
Base-Backbone interact. energy: 3.116
local terms energy: -132.389819
where:
bonds (distance) C4'-P energy: -36.648
bonds (distance) P-C4' energy: -31.867
flat angles C4'-P-C4' energy: -34.369
flat angles P-C4'-P energy: -19.304
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -652.144717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.144717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.144717 (E_RNA)
where:
Base-Base interactions energy: -405.482
where: short stacking energy: -186.494
Base-Backbone interact. energy: -1.112
local terms energy: -245.550763
where:
bonds (distance) C4'-P energy: -47.259
bonds (distance) P-C4' energy: -49.366
flat angles C4'-P-C4' energy: -48.623
flat angles P-C4'-P energy: -40.397
tors. eta vs tors. theta energy: -59.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -647.114457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.114457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.114457 (E_RNA)
where:
Base-Base interactions energy: -422.655
where: short stacking energy: -186.252
Base-Backbone interact. energy: -0.622
local terms energy: -223.837464
where:
bonds (distance) C4'-P energy: -39.884
bonds (distance) P-C4' energy: -42.682
flat angles C4'-P-C4' energy: -49.088
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -58.444
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: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -564.720980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.720980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.720980 (E_RNA)
where:
Base-Base interactions energy: -359.137
where: short stacking energy: -174.530
Base-Backbone interact. energy: 0.082
local terms energy: -205.666152
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -46.041
flat angles C4'-P-C4' energy: -45.826
flat angles P-C4'-P energy: -26.944
tors. eta vs tors. theta energy: -41.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -568.483484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.483484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.483484 (E_RNA)
where:
Base-Base interactions energy: -372.219
where: short stacking energy: -169.338
Base-Backbone interact. energy: 1.027
local terms energy: -197.291375
where:
bonds (distance) C4'-P energy: -37.859
bonds (distance) P-C4' energy: -42.453
flat angles C4'-P-C4' energy: -41.504
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -52.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -467.241457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.241457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.241457 (E_RNA)
where:
Base-Base interactions energy: -287.027
where: short stacking energy: -146.929
Base-Backbone interact. energy: -0.172
local terms energy: -180.042764
where:
bonds (distance) C4'-P energy: -36.739
bonds (distance) P-C4' energy: -41.000
flat angles C4'-P-C4' energy: -36.025
flat angles P-C4'-P energy: -28.257
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: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -418.919361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.919361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.919361 (E_RNA)
where:
Base-Base interactions energy: -233.651
where: short stacking energy: -125.024
Base-Backbone interact. energy: 0.328
local terms energy: -185.596344
where:
bonds (distance) C4'-P energy: -38.869
bonds (distance) P-C4' energy: -40.695
flat angles C4'-P-C4' energy: -41.563
flat angles P-C4'-P energy: -30.151
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: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -298.366158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.366158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.366158 (E_RNA)
where:
Base-Base interactions energy: -155.072
where: short stacking energy: -75.000
Base-Backbone interact. energy: -0.380
local terms energy: -142.914345
where:
bonds (distance) C4'-P energy: -38.069
bonds (distance) P-C4' energy: -34.048
flat angles C4'-P-C4' energy: -34.532
flat angles P-C4'-P energy: -24.146
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -276.994711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.994711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.994711 (E_RNA)
where:
Base-Base interactions energy: -137.530
where: short stacking energy: -87.448
Base-Backbone interact. energy: -0.726
local terms energy: -138.738637
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -40.190
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -22.262
tors. eta vs tors. theta energy: -11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -209.378444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.378444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.378444 (E_RNA)
where:
Base-Base interactions energy: -66.130
where: short stacking energy: -63.045
Base-Backbone interact. energy: -0.664
local terms energy: -142.584484
where:
bonds (distance) C4'-P energy: -35.037
bonds (distance) P-C4' energy: -49.043
flat angles C4'-P-C4' energy: -36.656
flat angles P-C4'-P energy: -20.529
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: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -186.725471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.725471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.725471 (E_RNA)
where:
Base-Base interactions energy: -75.704
where: short stacking energy: -75.704
Base-Backbone interact. energy: 5.708
local terms energy: -116.729448
where:
bonds (distance) C4'-P energy: -37.872
bonds (distance) P-C4' energy: -33.800
flat angles C4'-P-C4' energy: -27.586
flat angles P-C4'-P energy: -14.878
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: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -659.535826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.535826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.535826 (E_RNA)
where:
Base-Base interactions energy: -426.881
where: short stacking energy: -178.167
Base-Backbone interact. energy: -0.696
local terms energy: -231.959176
where:
bonds (distance) C4'-P energy: -45.948
bonds (distance) P-C4' energy: -39.845
flat angles C4'-P-C4' energy: -52.725
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: -58.299
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: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -643.272654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.272654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.272654 (E_RNA)
where:
Base-Base interactions energy: -413.963
where: short stacking energy: -194.435
Base-Backbone interact. energy: -1.033
local terms energy: -228.277135
where:
bonds (distance) C4'-P energy: -38.827
bonds (distance) P-C4' energy: -47.145
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -61.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -588.825394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.825394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.825394 (E_RNA)
where:
Base-Base interactions energy: -377.457
where: short stacking energy: -165.900
Base-Backbone interact. energy: 0.206
local terms energy: -211.574353
where:
bonds (distance) C4'-P energy: -46.801
bonds (distance) P-C4' energy: -36.093
flat angles C4'-P-C4' energy: -49.808
flat angles P-C4'-P energy: -29.290
tors. eta vs tors. theta energy: -49.582
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: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -554.663246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.663246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.663246 (E_RNA)
where:
Base-Base interactions energy: -351.691
where: short stacking energy: -181.677
Base-Backbone interact. energy: -1.043
local terms energy: -201.929337
where:
bonds (distance) C4'-P energy: -39.768
bonds (distance) P-C4' energy: -45.701
flat angles C4'-P-C4' energy: -42.354
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: -48.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -472.324373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.324373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.324373 (E_RNA)
where:
Base-Base interactions energy: -295.348
where: short stacking energy: -164.259
Base-Backbone interact. energy: 0.138
local terms energy: -177.114277
where:
bonds (distance) C4'-P energy: -27.544
bonds (distance) P-C4' energy: -44.984
flat angles C4'-P-C4' energy: -40.593
flat angles P-C4'-P energy: -22.800
tors. eta vs tors. theta energy: -41.193
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: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -390.618806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.618806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.618806 (E_RNA)
where:
Base-Base interactions energy: -223.168
where: short stacking energy: -108.285
Base-Backbone interact. energy: 0.389
local terms energy: -167.839900
where:
bonds (distance) C4'-P energy: -39.602
bonds (distance) P-C4' energy: -38.237
flat angles C4'-P-C4' energy: -43.219
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -31.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -287.597326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.597326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.597326 (E_RNA)
where:
Base-Base interactions energy: -126.316
where: short stacking energy: -75.365
Base-Backbone interact. energy: -0.521
local terms energy: -160.760674
where:
bonds (distance) C4'-P energy: -38.463
bonds (distance) P-C4' energy: -40.814
flat angles C4'-P-C4' energy: -34.471
flat angles P-C4'-P energy: -28.550
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -275.518633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.518633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.518633 (E_RNA)
where:
Base-Base interactions energy: -124.454
where: short stacking energy: -66.508
Base-Backbone interact. energy: 3.412
local terms energy: -154.477424
where:
bonds (distance) C4'-P energy: -39.531
bonds (distance) P-C4' energy: -40.134
flat angles C4'-P-C4' energy: -44.478
flat angles P-C4'-P energy: -22.546
tors. eta vs tors. theta energy: -7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -206.436454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.436454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.436454 (E_RNA)
where:
Base-Base interactions energy: -97.465
where: short stacking energy: -70.944
Base-Backbone interact. energy: 2.479
local terms energy: -111.450845
where:
bonds (distance) C4'-P energy: -30.715
bonds (distance) P-C4' energy: -26.658
flat angles C4'-P-C4' energy: -30.960
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -178.209663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.209663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.209663 (E_RNA)
where:
Base-Base interactions energy: -47.007
where: short stacking energy: -46.054
Base-Backbone interact. energy: 1.172
local terms energy: -132.374878
where:
bonds (distance) C4'-P energy: -39.179
bonds (distance) P-C4' energy: -41.011
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -20.619
tors. eta vs tors. theta energy: -1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -665.441854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.441854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.441854 (E_RNA)
where:
Base-Base interactions energy: -427.738
where: short stacking energy: -193.696
Base-Backbone interact. energy: -0.296
local terms energy: -237.408252
where:
bonds (distance) C4'-P energy: -46.500
bonds (distance) P-C4' energy: -47.221
flat angles C4'-P-C4' energy: -48.616
flat angles P-C4'-P energy: -36.745
tors. eta vs tors. theta energy: -58.327
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: 5
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -646.749492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.749492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.749492 (E_RNA)
where:
Base-Base interactions energy: -422.082
where: short stacking energy: -197.132
Base-Backbone interact. energy: 0.713
local terms energy: -225.380228
where:
bonds (distance) C4'-P energy: -40.241
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -42.338
flat angles P-C4'-P energy: -29.183
tors. eta vs tors. theta energy: -63.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -579.207754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.207754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.207754 (E_RNA)
where:
Base-Base interactions energy: -381.077
where: short stacking energy: -171.919
Base-Backbone interact. energy: -1.060
local terms energy: -197.070751
where:
bonds (distance) C4'-P energy: -39.085
bonds (distance) P-C4' energy: -40.917
flat angles C4'-P-C4' energy: -45.784
flat angles P-C4'-P energy: -28.010
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: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -575.378961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.378961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.378961 (E_RNA)
where:
Base-Base interactions energy: -362.622
where: short stacking energy: -172.864
Base-Backbone interact. energy: -0.204
local terms energy: -212.552964
where:
bonds (distance) C4'-P energy: -47.375
bonds (distance) P-C4' energy: -41.777
flat angles C4'-P-C4' energy: -41.836
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -52.278
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: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -473.668062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.668062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.668062 (E_RNA)
where:
Base-Base interactions energy: -292.564
where: short stacking energy: -136.455
Base-Backbone interact. energy: -0.545
local terms energy: -180.559028
where:
bonds (distance) C4'-P energy: -38.448
bonds (distance) P-C4' energy: -45.729
flat angles C4'-P-C4' energy: -40.812
flat angles P-C4'-P energy: -27.347
tors. eta vs tors. theta energy: -28.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -377.262312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.262312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.262312 (E_RNA)
where:
Base-Base interactions energy: -200.472
where: short stacking energy: -113.538
Base-Backbone interact. energy: -1.581
local terms energy: -175.209347
where:
bonds (distance) C4'-P energy: -41.410
bonds (distance) P-C4' energy: -43.433
flat angles C4'-P-C4' energy: -43.109
flat angles P-C4'-P energy: -19.812
tors. eta vs tors. theta energy: -27.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -308.857794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.857794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.857794 (E_RNA)
where:
Base-Base interactions energy: -153.246
where: short stacking energy: -79.509
Base-Backbone interact. energy: -0.988
local terms energy: -154.624015
where:
bonds (distance) C4'-P energy: -36.282
bonds (distance) P-C4' energy: -37.864
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -28.549
tors. eta vs tors. theta energy: -19.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -199.269332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.269332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.269332 (E_RNA)
where:
Base-Base interactions energy: -69.588
where: short stacking energy: -60.297
Base-Backbone interact. energy: -0.552
local terms energy: -129.130206
where:
bonds (distance) C4'-P energy: -34.645
bonds (distance) P-C4' energy: -37.712
flat angles C4'-P-C4' energy: -34.906
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -6.093
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: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -277.380773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.380773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.380773 (E_RNA)
where:
Base-Base interactions energy: -138.664
where: short stacking energy: -64.720
Base-Backbone interact. energy: 1.377
local terms energy: -140.093746
where:
bonds (distance) C4'-P energy: -36.827
bonds (distance) P-C4' energy: -32.635
flat angles C4'-P-C4' energy: -38.076
flat angles P-C4'-P energy: -29.651
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -174.102580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.102580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.102580 (E_RNA)
where:
Base-Base interactions energy: -57.954
where: short stacking energy: -46.444
Base-Backbone interact. energy: 0.797
local terms energy: -116.945995
where:
bonds (distance) C4'-P energy: -25.416
bonds (distance) P-C4' energy: -36.554
flat angles C4'-P-C4' energy: -30.774
flat angles P-C4'-P energy: -23.481
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: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -660.194631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.194631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.194631 (E_RNA)
where:
Base-Base interactions energy: -431.322
where: short stacking energy: -206.811
Base-Backbone interact. energy: -0.093
local terms energy: -228.779245
where:
bonds (distance) C4'-P energy: -42.128
bonds (distance) P-C4' energy: -42.859
flat angles C4'-P-C4' energy: -49.682
flat angles P-C4'-P energy: -29.577
tors. eta vs tors. theta energy: -64.534
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: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -649.001391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.001391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.001391 (E_RNA)
where:
Base-Base interactions energy: -423.233
where: short stacking energy: -198.174
Base-Backbone interact. energy: -0.416
local terms energy: -225.353228
where:
bonds (distance) C4'-P energy: -48.641
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -44.518
flat angles P-C4'-P energy: -30.166
tors. eta vs tors. theta energy: -58.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -551.503291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.503291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.503291 (E_RNA)
where:
Base-Base interactions energy: -354.825
where: short stacking energy: -178.271
Base-Backbone interact. energy: 0.185
local terms energy: -196.862820
where:
bonds (distance) C4'-P energy: -37.525
bonds (distance) P-C4' energy: -44.077
flat angles C4'-P-C4' energy: -41.036
flat angles P-C4'-P energy: -30.001
tors. eta vs tors. theta energy: -44.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -528.907458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.907458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.907458 (E_RNA)
where:
Base-Base interactions energy: -350.778
where: short stacking energy: -155.048
Base-Backbone interact. energy: 0.193
local terms energy: -178.321759
where:
bonds (distance) C4'-P energy: -34.082
bonds (distance) P-C4' energy: -42.247
flat angles C4'-P-C4' energy: -42.059
flat angles P-C4'-P energy: -28.154
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: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -478.548608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.548608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.548608 (E_RNA)
where:
Base-Base interactions energy: -298.722
where: short stacking energy: -136.448
Base-Backbone interact. energy: 0.862
local terms energy: -180.688774
where:
bonds (distance) C4'-P energy: -35.774
bonds (distance) P-C4' energy: -46.542
flat angles C4'-P-C4' energy: -38.466
flat angles P-C4'-P energy: -24.192
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: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -385.138515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.138515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.138515 (E_RNA)
where:
Base-Base interactions energy: -213.419
where: short stacking energy: -117.960
Base-Backbone interact. energy: -1.095
local terms energy: -170.624605
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -38.405
flat angles C4'-P-C4' energy: -40.776
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -301.917990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.917990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.917990 (E_RNA)
where:
Base-Base interactions energy: -147.579
where: short stacking energy: -80.066
Base-Backbone interact. energy: -1.369
local terms energy: -152.970614
where:
bonds (distance) C4'-P energy: -33.766
bonds (distance) P-C4' energy: -40.813
flat angles C4'-P-C4' energy: -41.104
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -11.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -225.368425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.368425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.368425 (E_RNA)
where:
Base-Base interactions energy: -103.961
where: short stacking energy: -83.534
Base-Backbone interact. energy: 5.141
local terms energy: -126.548237
where:
bonds (distance) C4'-P energy: -29.135
bonds (distance) P-C4' energy: -36.161
flat angles C4'-P-C4' energy: -36.231
flat angles P-C4'-P energy: -19.185
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -193.733214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.733214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.733214 (E_RNA)
where:
Base-Base interactions energy: -69.411
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.232
local terms energy: -124.089365
where:
bonds (distance) C4'-P energy: -33.566
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -24.443
tors. eta vs tors. theta energy: -0.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -257.460425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.460425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.460425 (E_RNA)
where:
Base-Base interactions energy: -136.593
where: short stacking energy: -73.086
Base-Backbone interact. energy: -0.407
local terms energy: -120.460249
where:
bonds (distance) C4'-P energy: -34.111
bonds (distance) P-C4' energy: -34.253
flat angles C4'-P-C4' energy: -32.706
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -3.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -661.751082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.751082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.751082 (E_RNA)
where:
Base-Base interactions energy: -423.941
where: short stacking energy: -193.032
Base-Backbone interact. energy: -0.249
local terms energy: -237.560913
where:
bonds (distance) C4'-P energy: -50.100
bonds (distance) P-C4' energy: -44.352
flat angles C4'-P-C4' energy: -51.096
flat angles P-C4'-P energy: -37.161
tors. eta vs tors. theta energy: -54.853
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: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -642.764938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.764938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.764938 (E_RNA)
where:
Base-Base interactions energy: -421.372
where: short stacking energy: -194.624
Base-Backbone interact. energy: -1.230
local terms energy: -220.162797
where:
bonds (distance) C4'-P energy: -44.449
bonds (distance) P-C4' energy: -42.548
flat angles C4'-P-C4' energy: -46.985
flat angles P-C4'-P energy: -32.457
tors. eta vs tors. theta energy: -53.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -581.311570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.311570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.311570 (E_RNA)
where:
Base-Base interactions energy: -379.314
where: short stacking energy: -188.559
Base-Backbone interact. energy: -0.619
local terms energy: -201.378833
where:
bonds (distance) C4'-P energy: -42.815
bonds (distance) P-C4' energy: -40.522
flat angles C4'-P-C4' energy: -40.189
flat angles P-C4'-P energy: -25.635
tors. eta vs tors. theta energy: -52.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -561.977330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.977330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.977330 (E_RNA)
where:
Base-Base interactions energy: -348.000
where: short stacking energy: -156.179
Base-Backbone interact. energy: 0.825
local terms energy: -214.802511
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -41.455
flat angles C4'-P-C4' energy: -47.437
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -48.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -468.841552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.841552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.841552 (E_RNA)
where:
Base-Base interactions energy: -298.235
where: short stacking energy: -137.084
Base-Backbone interact. energy: -0.379
local terms energy: -170.227692
where:
bonds (distance) C4'-P energy: -43.423
bonds (distance) P-C4' energy: -35.560
flat angles C4'-P-C4' energy: -46.379
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -23.083
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: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -383.750726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.750726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.750726 (E_RNA)
where:
Base-Base interactions energy: -204.473
where: short stacking energy: -127.273
Base-Backbone interact. energy: -1.109
local terms energy: -178.168910
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -43.405
flat angles C4'-P-C4' energy: -39.205
flat angles P-C4'-P energy: -22.917
tors. eta vs tors. theta energy: -35.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -310.045609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.045609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.045609 (E_RNA)
where:
Base-Base interactions energy: -167.786
where: short stacking energy: -81.752
Base-Backbone interact. energy: 1.604
local terms energy: -143.863719
where:
bonds (distance) C4'-P energy: -44.045
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -31.205
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -7.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -216.716146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.716146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.716146 (E_RNA)
where:
Base-Base interactions energy: -78.494
where: short stacking energy: -63.375
Base-Backbone interact. energy: 0.711
local terms energy: -138.933079
where:
bonds (distance) C4'-P energy: -50.621
bonds (distance) P-C4' energy: -31.975
flat angles C4'-P-C4' energy: -37.686
flat angles P-C4'-P energy: -16.677
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: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -204.059284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.059284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.059284 (E_RNA)
where:
Base-Base interactions energy: -72.050
where: short stacking energy: -49.279
Base-Backbone interact. energy: -1.181
local terms energy: -130.827757
where:
bonds (distance) C4'-P energy: -46.936
bonds (distance) P-C4' energy: -43.025
flat angles C4'-P-C4' energy: -23.249
flat angles P-C4'-P energy: -24.994
tors. eta vs tors. theta energy: 7.377
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: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -261.519024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.519024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.519024 (E_RNA)
where:
Base-Base interactions energy: -136.753
where: short stacking energy: -69.359
Base-Backbone interact. energy: -1.792
local terms energy: -122.974722
where:
bonds (distance) C4'-P energy: -39.894
bonds (distance) P-C4' energy: -24.703
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -17.924
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -645.272983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.272983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.272983 (E_RNA)
where:
Base-Base interactions energy: -438.132
where: short stacking energy: -204.859
Base-Backbone interact. energy: 0.281
local terms energy: -207.422145
where:
bonds (distance) C4'-P energy: -33.535
bonds (distance) P-C4' energy: -45.242
flat angles C4'-P-C4' energy: -44.093
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -57.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -640.382147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.382147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.382147 (E_RNA)
where:
Base-Base interactions energy: -429.963
where: short stacking energy: -185.974
Base-Backbone interact. energy: -0.186
local terms energy: -210.232285
where:
bonds (distance) C4'-P energy: -38.673
bonds (distance) P-C4' energy: -43.017
flat angles C4'-P-C4' energy: -42.775
flat angles P-C4'-P energy: -31.013
tors. eta vs tors. theta energy: -54.755
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: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -592.527971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.527971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.527971 (E_RNA)
where:
Base-Base interactions energy: -368.309
where: short stacking energy: -179.357
Base-Backbone interact. energy: -0.130
local terms energy: -224.089369
where:
bonds (distance) C4'-P energy: -39.311
bonds (distance) P-C4' energy: -47.456
flat angles C4'-P-C4' energy: -47.830
flat angles P-C4'-P energy: -37.626
tors. eta vs tors. theta energy: -51.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -531.126252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.126252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.126252 (E_RNA)
where:
Base-Base interactions energy: -339.890
where: short stacking energy: -154.250
Base-Backbone interact. energy: 0.114
local terms energy: -191.350568
where:
bonds (distance) C4'-P energy: -45.640
bonds (distance) P-C4' energy: -36.971
flat angles C4'-P-C4' energy: -38.878
flat angles P-C4'-P energy: -31.173
tors. eta vs tors. theta energy: -38.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -482.166886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.166886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.166886 (E_RNA)
where:
Base-Base interactions energy: -292.432
where: short stacking energy: -133.199
Base-Backbone interact. energy: -0.688
local terms energy: -189.046723
where:
bonds (distance) C4'-P energy: -44.101
bonds (distance) P-C4' energy: -39.840
flat angles C4'-P-C4' energy: -42.814
flat angles P-C4'-P energy: -28.873
tors. eta vs tors. theta energy: -33.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -388.850160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.850160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.850160 (E_RNA)
where:
Base-Base interactions energy: -217.088
where: short stacking energy: -118.192
Base-Backbone interact. energy: -0.443
local terms energy: -171.319296
where:
bonds (distance) C4'-P energy: -36.811
bonds (distance) P-C4' energy: -38.862
flat angles C4'-P-C4' energy: -46.908
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -27.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -306.222571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.222571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.222571 (E_RNA)
where:
Base-Base interactions energy: -156.493
where: short stacking energy: -90.315
Base-Backbone interact. energy: -0.330
local terms energy: -149.399001
where:
bonds (distance) C4'-P energy: -31.332
bonds (distance) P-C4' energy: -40.636
flat angles C4'-P-C4' energy: -40.136
flat angles P-C4'-P energy: -25.353
tors. eta vs tors. theta energy: -11.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -209.167931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.167931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.167931 (E_RNA)
where:
Base-Base interactions energy: -73.717
where: short stacking energy: -66.771
Base-Backbone interact. energy: -0.448
local terms energy: -135.002913
where:
bonds (distance) C4'-P energy: -31.703
bonds (distance) P-C4' energy: -46.077
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -24.221
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: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -197.094483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.094483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.094483 (E_RNA)
where:
Base-Base interactions energy: -66.037
where: short stacking energy: -62.443
Base-Backbone interact. energy: -0.209
local terms energy: -130.848350
where:
bonds (distance) C4'-P energy: -31.830
bonds (distance) P-C4' energy: -35.664
flat angles C4'-P-C4' energy: -30.417
flat angles P-C4'-P energy: -24.539
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -183.914662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.914662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.914662 (E_RNA)
where:
Base-Base interactions energy: -69.200
where: short stacking energy: -51.552
Base-Backbone interact. energy: -1.140
local terms energy: -113.574730
where:
bonds (distance) C4'-P energy: -46.963
bonds (distance) P-C4' energy: -37.419
flat angles C4'-P-C4' energy: -27.104
flat angles P-C4'-P energy: -13.884
tors. eta vs tors. theta energy: 11.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -639.478089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.478089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.478089 (E_RNA)
where:
Base-Base interactions energy: -409.612
where: short stacking energy: -195.160
Base-Backbone interact. energy: 0.541
local terms energy: -230.407177
where:
bonds (distance) C4'-P energy: -44.943
bonds (distance) P-C4' energy: -47.086
flat angles C4'-P-C4' energy: -39.281
flat angles P-C4'-P energy: -32.169
tors. eta vs tors. theta energy: -66.929
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: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -636.487233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.487233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.487233 (E_RNA)
where:
Base-Base interactions energy: -401.418
where: short stacking energy: -193.390
Base-Backbone interact. energy: -0.318
local terms energy: -234.751375
where:
bonds (distance) C4'-P energy: -40.459
bonds (distance) P-C4' energy: -50.831
flat angles C4'-P-C4' energy: -50.773
flat angles P-C4'-P energy: -35.766
tors. eta vs tors. theta energy: -56.921
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: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -602.416606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.416606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.416606 (E_RNA)
where:
Base-Base interactions energy: -379.859
where: short stacking energy: -185.480
Base-Backbone interact. energy: -0.076
local terms energy: -222.481904
where:
bonds (distance) C4'-P energy: -42.875
bonds (distance) P-C4' energy: -38.364
flat angles C4'-P-C4' energy: -48.533
flat angles P-C4'-P energy: -35.854
tors. eta vs tors. theta energy: -56.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -521.217776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.217776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.217776 (E_RNA)
where:
Base-Base interactions energy: -332.310
where: short stacking energy: -135.292
Base-Backbone interact. energy: -2.886
local terms energy: -186.021432
where:
bonds (distance) C4'-P energy: -37.504
bonds (distance) P-C4' energy: -44.934
flat angles C4'-P-C4' energy: -41.353
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -33.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -470.063554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.063554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.063554 (E_RNA)
where:
Base-Base interactions energy: -288.608
where: short stacking energy: -138.956
Base-Backbone interact. energy: -1.294
local terms energy: -180.161952
where:
bonds (distance) C4'-P energy: -40.106
bonds (distance) P-C4' energy: -47.061
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -32.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -415.197934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.197934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.197934 (E_RNA)
where:
Base-Base interactions energy: -235.746
where: short stacking energy: -117.699
Base-Backbone interact. energy: -0.583
local terms energy: -178.869701
where:
bonds (distance) C4'-P energy: -48.339
bonds (distance) P-C4' energy: -44.582
flat angles C4'-P-C4' energy: -41.195
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -22.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -291.362320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.362320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.362320 (E_RNA)
where:
Base-Base interactions energy: -142.493
where: short stacking energy: -79.197
Base-Backbone interact. energy: -0.714
local terms energy: -148.155315
where:
bonds (distance) C4'-P energy: -35.320
bonds (distance) P-C4' energy: -34.317
flat angles C4'-P-C4' energy: -38.338
flat angles P-C4'-P energy: -28.842
tors. eta vs tors. theta energy: -11.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -227.918795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.918795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.918795 (E_RNA)
where:
Base-Base interactions energy: -108.036
where: short stacking energy: -74.016
Base-Backbone interact. energy: -0.128
local terms energy: -119.755204
where:
bonds (distance) C4'-P energy: -24.766
bonds (distance) P-C4' energy: -40.808
flat angles C4'-P-C4' energy: -36.004
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -0.924
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: 9
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -213.098059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.098059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.098059 (E_RNA)
where:
Base-Base interactions energy: -83.074
where: short stacking energy: -81.771
Base-Backbone interact. energy: -0.364
local terms energy: -129.660039
where:
bonds (distance) C4'-P energy: -28.386
bonds (distance) P-C4' energy: -43.107
flat angles C4'-P-C4' energy: -36.218
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -180.507181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.507181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.507181 (E_RNA)
where:
Base-Base interactions energy: -68.262
where: short stacking energy: -61.574
Base-Backbone interact. energy: 1.891
local terms energy: -114.136499
where:
bonds (distance) C4'-P energy: -36.842
bonds (distance) P-C4' energy: -38.514
flat angles C4'-P-C4' energy: -32.678
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -644.548395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.548395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.548395 (E_RNA)
where:
Base-Base interactions energy: -423.246
where: short stacking energy: -201.417
Base-Backbone interact. energy: -0.606
local terms energy: -220.697127
where:
bonds (distance) C4'-P energy: -38.190
bonds (distance) P-C4' energy: -40.253
flat angles C4'-P-C4' energy: -43.754
flat angles P-C4'-P energy: -36.513
tors. eta vs tors. theta energy: -61.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -621.125293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.125293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.125293 (E_RNA)
where:
Base-Base interactions energy: -407.516
where: short stacking energy: -189.679
Base-Backbone interact. energy: -0.574
local terms energy: -213.035011
where:
bonds (distance) C4'-P energy: -40.007
bonds (distance) P-C4' energy: -40.345
flat angles C4'-P-C4' energy: -48.123
flat angles P-C4'-P energy: -32.936
tors. eta vs tors. theta energy: -51.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -611.236205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.236205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.236205 (E_RNA)
where:
Base-Base interactions energy: -391.784
where: short stacking energy: -196.502
Base-Backbone interact. energy: 1.860
local terms energy: -221.311326
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -47.775
flat angles C4'-P-C4' energy: -49.709
flat angles P-C4'-P energy: -32.228
tors. eta vs tors. theta energy: -56.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -523.508365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.508365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.508365 (E_RNA)
where:
Base-Base interactions energy: -344.819
where: short stacking energy: -140.434
Base-Backbone interact. energy: -0.598
local terms energy: -178.091584
where:
bonds (distance) C4'-P energy: -38.065
bonds (distance) P-C4' energy: -36.905
flat angles C4'-P-C4' energy: -36.546
flat angles P-C4'-P energy: -27.575
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: 5, replica: 7
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -476.353250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.353250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.353250 (E_RNA)
where:
Base-Base interactions energy: -313.754
where: short stacking energy: -144.771
Base-Backbone interact. energy: -0.381
local terms energy: -162.218050
where:
bonds (distance) C4'-P energy: -34.450
bonds (distance) P-C4' energy: -34.206
flat angles C4'-P-C4' energy: -32.914
flat angles P-C4'-P energy: -32.798
tors. eta vs tors. theta energy: -27.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -374.518019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.518019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.518019 (E_RNA)
where:
Base-Base interactions energy: -236.168
where: short stacking energy: -109.627
Base-Backbone interact. energy: -0.424
local terms energy: -137.925970
where:
bonds (distance) C4'-P energy: -31.176
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -39.916
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -315.384155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.384155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.384155 (E_RNA)
where:
Base-Base interactions energy: -162.685
where: short stacking energy: -101.033
Base-Backbone interact. energy: -0.932
local terms energy: -151.767434
where:
bonds (distance) C4'-P energy: -36.583
bonds (distance) P-C4' energy: -37.015
flat angles C4'-P-C4' energy: -33.263
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -28.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -206.415293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.415293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.415293 (E_RNA)
where:
Base-Base interactions energy: -75.846
where: short stacking energy: -61.970
Base-Backbone interact. energy: -1.396
local terms energy: -129.173876
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -34.762
flat angles C4'-P-C4' energy: -36.577
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: 5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -200.962803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.962803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.962803 (E_RNA)
where:
Base-Base interactions energy: -63.941
where: short stacking energy: -55.033
Base-Backbone interact. energy: -0.578
local terms energy: -136.443843
where:
bonds (distance) C4'-P energy: -32.760
bonds (distance) P-C4' energy: -43.529
flat angles C4'-P-C4' energy: -38.552
flat angles P-C4'-P energy: -21.973
tors. eta vs tors. theta energy: 0.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -175.944848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.944848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.944848 (E_RNA)
where:
Base-Base interactions energy: -56.463
where: short stacking energy: -47.740
Base-Backbone interact. energy: -0.872
local terms energy: -118.609532
where:
bonds (distance) C4'-P energy: -30.619
bonds (distance) P-C4' energy: -39.942
flat angles C4'-P-C4' energy: -40.156
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: 7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -656.498716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.498716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.498716 (E_RNA)
where:
Base-Base interactions energy: -442.719
where: short stacking energy: -203.038
Base-Backbone interact. energy: -0.097
local terms energy: -213.682247
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -39.329
flat angles C4'-P-C4' energy: -43.175
flat angles P-C4'-P energy: -34.684
tors. eta vs tors. theta energy: -54.221
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: 5
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -618.080968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.080968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.080968 (E_RNA)
where:
Base-Base interactions energy: -406.214
where: short stacking energy: -193.254
Base-Backbone interact. energy: -1.258
local terms energy: -210.609199
where:
bonds (distance) C4'-P energy: -41.826
bonds (distance) P-C4' energy: -41.902
flat angles C4'-P-C4' energy: -45.675
flat angles P-C4'-P energy: -28.890
tors. eta vs tors. theta energy: -52.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -589.938717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.938717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.938717 (E_RNA)
where:
Base-Base interactions energy: -385.555
where: short stacking energy: -177.955
Base-Backbone interact. energy: -0.536
local terms energy: -203.847807
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -39.400
flat angles C4'-P-C4' energy: -46.800
flat angles P-C4'-P energy: -29.304
tors. eta vs tors. theta energy: -53.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -539.847624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.847624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.847624 (E_RNA)
where:
Base-Base interactions energy: -343.716
where: short stacking energy: -172.731
Base-Backbone interact. energy: -0.330
local terms energy: -195.801277
where:
bonds (distance) C4'-P energy: -33.629
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -41.567
flat angles P-C4'-P energy: -26.026
tors. eta vs tors. theta energy: -53.853
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: 7
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -480.173787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.173787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.173787 (E_RNA)
where:
Base-Base interactions energy: -294.783
where: short stacking energy: -136.331
Base-Backbone interact. energy: -0.015
local terms energy: -185.375967
where:
bonds (distance) C4'-P energy: -40.842
bonds (distance) P-C4' energy: -38.917
flat angles C4'-P-C4' energy: -40.956
flat angles P-C4'-P energy: -26.194
tors. eta vs tors. theta energy: -38.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -322.502935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.502935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.502935 (E_RNA)
where:
Base-Base interactions energy: -166.303
where: short stacking energy: -101.480
Base-Backbone interact. energy: -1.099
local terms energy: -155.100256
where:
bonds (distance) C4'-P energy: -37.870
bonds (distance) P-C4' energy: -42.790
flat angles C4'-P-C4' energy: -35.181
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -21.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -346.914570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.914570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.914570 (E_RNA)
where:
Base-Base interactions energy: -186.240
where: short stacking energy: -84.018
Base-Backbone interact. energy: 3.417
local terms energy: -164.091838
where:
bonds (distance) C4'-P energy: -40.600
bonds (distance) P-C4' energy: -45.847
flat angles C4'-P-C4' energy: -38.096
flat angles P-C4'-P energy: -27.910
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -209.549450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.549450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.549450 (E_RNA)
where:
Base-Base interactions energy: -78.183
where: short stacking energy: -55.088
Base-Backbone interact. energy: -1.332
local terms energy: -130.033899
where:
bonds (distance) C4'-P energy: -41.562
bonds (distance) P-C4' energy: -32.311
flat angles C4'-P-C4' energy: -34.401
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -5.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -187.677588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.677588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.677588 (E_RNA)
where:
Base-Base interactions energy: -61.337
where: short stacking energy: -56.929
Base-Backbone interact. energy: 1.656
local terms energy: -127.996563
where:
bonds (distance) C4'-P energy: -38.970
bonds (distance) P-C4' energy: -36.508
flat angles C4'-P-C4' energy: -35.843
flat angles P-C4'-P energy: -25.792
tors. eta vs tors. theta energy: 9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -170.743054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.743054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.743054 (E_RNA)
where:
Base-Base interactions energy: -51.759
where: short stacking energy: -32.458
Base-Backbone interact. energy: -0.336
local terms energy: -118.648467
where:
bonds (distance) C4'-P energy: -33.699
bonds (distance) P-C4' energy: -37.087
flat angles C4'-P-C4' energy: -36.936
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: 8.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -649.984494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.984494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.984494 (E_RNA)
where:
Base-Base interactions energy: -423.240
where: short stacking energy: -187.920
Base-Backbone interact. energy: -1.118
local terms energy: -225.626059
where:
bonds (distance) C4'-P energy: -46.459
bonds (distance) P-C4' energy: -43.063
flat angles C4'-P-C4' energy: -52.410
flat angles P-C4'-P energy: -31.837
tors. eta vs tors. theta energy: -51.856
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: 2, replica: 5
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -611.027368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.027368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.027368 (E_RNA)
where:
Base-Base interactions energy: -394.448
where: short stacking energy: -182.567
Base-Backbone interact. energy: -0.881
local terms energy: -215.698077
where:
bonds (distance) C4'-P energy: -43.822
bonds (distance) P-C4' energy: -45.749
flat angles C4'-P-C4' energy: -43.171
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -47.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -546.503559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.503559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.503559 (E_RNA)
where:
Base-Base interactions energy: -343.778
where: short stacking energy: -170.713
Base-Backbone interact. energy: -0.595
local terms energy: -202.131036
where:
bonds (distance) C4'-P energy: -47.114
bonds (distance) P-C4' energy: -40.624
flat angles C4'-P-C4' energy: -42.928
flat angles P-C4'-P energy: -26.437
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: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -581.735489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.735489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.735489 (E_RNA)
where:
Base-Base interactions energy: -371.951
where: short stacking energy: -169.007
Base-Backbone interact. energy: -1.397
local terms energy: -208.387794
where:
bonds (distance) C4'-P energy: -39.634
bonds (distance) P-C4' energy: -41.625
flat angles C4'-P-C4' energy: -45.990
flat angles P-C4'-P energy: -30.287
tors. eta vs tors. theta energy: -50.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -472.705805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.705805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.705805 (E_RNA)
where:
Base-Base interactions energy: -299.284
where: short stacking energy: -152.806
Base-Backbone interact. energy: -0.928
local terms energy: -172.493139
where:
bonds (distance) C4'-P energy: -37.694
bonds (distance) P-C4' energy: -39.561
flat angles C4'-P-C4' energy: -37.640
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -39.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -312.627624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.627624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.627624 (E_RNA)
where:
Base-Base interactions energy: -150.013
where: short stacking energy: -93.662
Base-Backbone interact. energy: 2.259
local terms energy: -164.872783
where:
bonds (distance) C4'-P energy: -43.833
bonds (distance) P-C4' energy: -42.168
flat angles C4'-P-C4' energy: -32.290
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -22.561
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: 242
Temperature: 1.200000
Total energy: -346.933809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.933809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.933809 (E_RNA)
where:
Base-Base interactions energy: -186.000
where: short stacking energy: -105.483
Base-Backbone interact. energy: 1.650
local terms energy: -162.584323
where:
bonds (distance) C4'-P energy: -36.903
bonds (distance) P-C4' energy: -40.247
flat angles C4'-P-C4' energy: -42.865
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -21.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -197.278100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.278100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.278100 (E_RNA)
where:
Base-Base interactions energy: -88.389
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.791
local terms energy: -108.098362
where:
bonds (distance) C4'-P energy: -37.531
bonds (distance) P-C4' energy: -34.201
flat angles C4'-P-C4' energy: -33.377
flat angles P-C4'-P energy: -20.115
tors. eta vs tors. theta energy: 17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -189.495940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.495940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.495940 (E_RNA)
where:
Base-Base interactions energy: -53.575
where: short stacking energy: -48.073
Base-Backbone interact. energy: -0.305
local terms energy: -135.615833
where:
bonds (distance) C4'-P energy: -36.539
bonds (distance) P-C4' energy: -40.406
flat angles C4'-P-C4' energy: -39.556
flat angles P-C4'-P energy: -29.312
tors. eta vs tors. theta energy: 10.197
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: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -191.182299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.182299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.182299 (E_RNA)
where:
Base-Base interactions energy: -61.675
where: short stacking energy: -38.309
Base-Backbone interact. energy: 1.132
local terms energy: -130.639952
where:
bonds (distance) C4'-P energy: -32.472
bonds (distance) P-C4' energy: -36.628
flat angles C4'-P-C4' energy: -32.331
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -6.040
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: 243
Temperature: 0.900000
Total energy: -635.994248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.994248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.994248 (E_RNA)
where:
Base-Base interactions energy: -419.701
where: short stacking energy: -197.749
Base-Backbone interact. energy: 0.034
local terms energy: -216.326976
where:
bonds (distance) C4'-P energy: -41.110
bonds (distance) P-C4' energy: -43.610
flat angles C4'-P-C4' energy: -49.045
flat angles P-C4'-P energy: -30.548
tors. eta vs tors. theta energy: -52.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -628.753091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.753091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.753091 (E_RNA)
where:
Base-Base interactions energy: -409.106
where: short stacking energy: -193.304
Base-Backbone interact. energy: -0.154
local terms energy: -219.493618
where:
bonds (distance) C4'-P energy: -45.352
bonds (distance) P-C4' energy: -41.991
flat angles C4'-P-C4' energy: -46.662
flat angles P-C4'-P energy: -32.865
tors. eta vs tors. theta energy: -52.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -545.263519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.263519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.263519 (E_RNA)
where:
Base-Base interactions energy: -353.749
where: short stacking energy: -169.954
Base-Backbone interact. energy: -1.213
local terms energy: -190.302040
where:
bonds (distance) C4'-P energy: -37.683
bonds (distance) P-C4' energy: -45.313
flat angles C4'-P-C4' energy: -35.031
flat angles P-C4'-P energy: -25.095
tors. eta vs tors. theta energy: -47.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -582.116725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.116725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.116725 (E_RNA)
where:
Base-Base interactions energy: -381.182
where: short stacking energy: -194.259
Base-Backbone interact. energy: -0.392
local terms energy: -200.543141
where:
bonds (distance) C4'-P energy: -37.794
bonds (distance) P-C4' energy: -47.101
flat angles C4'-P-C4' energy: -38.260
flat angles P-C4'-P energy: -26.712
tors. eta vs tors. theta energy: -50.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -503.912133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.912133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.912133 (E_RNA)
where:
Base-Base interactions energy: -301.187
where: short stacking energy: -140.655
Base-Backbone interact. energy: -0.450
local terms energy: -202.275124
where:
bonds (distance) C4'-P energy: -44.359
bonds (distance) P-C4' energy: -40.112
flat angles C4'-P-C4' energy: -48.301
flat angles P-C4'-P energy: -27.408
tors. eta vs tors. theta energy: -42.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -368.255026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.255026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.255026 (E_RNA)
where:
Base-Base interactions energy: -213.739
where: short stacking energy: -107.487
Base-Backbone interact. energy: -1.170
local terms energy: -153.345677
where:
bonds (distance) C4'-P energy: -32.914
bonds (distance) P-C4' energy: -38.852
flat angles C4'-P-C4' energy: -37.374
flat angles P-C4'-P energy: -26.239
tors. eta vs tors. theta energy: -17.966
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: 7, replica: 1
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -295.133510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.133510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.133510 (E_RNA)
where:
Base-Base interactions energy: -142.818
where: short stacking energy: -82.906
Base-Backbone interact. energy: -1.032
local terms energy: -151.283339
where:
bonds (distance) C4'-P energy: -41.223
bonds (distance) P-C4' energy: -35.014
flat angles C4'-P-C4' energy: -44.936
flat angles P-C4'-P energy: -26.374
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -200.866349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.866349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.866349 (E_RNA)
where:
Base-Base interactions energy: -74.475
where: short stacking energy: -51.857
Base-Backbone interact. energy: -0.527
local terms energy: -125.865056
where:
bonds (distance) C4'-P energy: -36.813
bonds (distance) P-C4' energy: -37.563
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -19.540
tors. eta vs tors. theta energy: -0.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -186.987031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.987031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.987031 (E_RNA)
where:
Base-Base interactions energy: -65.435
where: short stacking energy: -53.368
Base-Backbone interact. energy: 1.182
local terms energy: -122.734280
where:
bonds (distance) C4'-P energy: -28.073
bonds (distance) P-C4' energy: -35.802
flat angles C4'-P-C4' energy: -33.730
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -192.925691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.925691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.925691 (E_RNA)
where:
Base-Base interactions energy: -54.015
where: short stacking energy: -53.551
Base-Backbone interact. energy: -0.722
local terms energy: -138.188234
where:
bonds (distance) C4'-P energy: -43.249
bonds (distance) P-C4' energy: -40.826
flat angles C4'-P-C4' energy: -31.679
flat angles P-C4'-P energy: -25.307
tors. eta vs tors. theta energy: 2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -645.055908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.055908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.055908 (E_RNA)
where:
Base-Base interactions energy: -421.637
where: short stacking energy: -197.774
Base-Backbone interact. energy: -0.690
local terms energy: -222.728864
where:
bonds (distance) C4'-P energy: -35.632
bonds (distance) P-C4' energy: -46.957
flat angles C4'-P-C4' energy: -47.906
flat angles P-C4'-P energy: -33.552
tors. eta vs tors. theta energy: -58.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -611.086365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.086365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.086365 (E_RNA)
where:
Base-Base interactions energy: -407.005
where: short stacking energy: -183.828
Base-Backbone interact. energy: 0.466
local terms energy: -204.548023
where:
bonds (distance) C4'-P energy: -46.622
bonds (distance) P-C4' energy: -33.586
flat angles C4'-P-C4' energy: -43.851
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -49.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -583.631021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.631021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.631021 (E_RNA)
where:
Base-Base interactions energy: -383.712
where: short stacking energy: -183.187
Base-Backbone interact. energy: -0.143
local terms energy: -199.776212
where:
bonds (distance) C4'-P energy: -40.124
bonds (distance) P-C4' energy: -46.169
flat angles C4'-P-C4' energy: -41.505
flat angles P-C4'-P energy: -29.348
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: 244
Temperature: 1.050000
Total energy: -529.680724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.680724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.680724 (E_RNA)
where:
Base-Base interactions energy: -329.435
where: short stacking energy: -153.407
Base-Backbone interact. energy: 0.423
local terms energy: -200.668529
where:
bonds (distance) C4'-P energy: -46.938
bonds (distance) P-C4' energy: -41.775
flat angles C4'-P-C4' energy: -38.227
flat angles P-C4'-P energy: -27.143
tors. eta vs tors. theta energy: -46.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -490.263065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.263065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.263065 (E_RNA)
where:
Base-Base interactions energy: -307.809
where: short stacking energy: -134.365
Base-Backbone interact. energy: -0.377
local terms energy: -182.077540
where:
bonds (distance) C4'-P energy: -33.920
bonds (distance) P-C4' energy: -45.566
flat angles C4'-P-C4' energy: -44.766
flat angles P-C4'-P energy: -27.648
tors. eta vs tors. theta energy: -30.177
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: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -364.081681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.081681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.081681 (E_RNA)
where:
Base-Base interactions energy: -203.589
where: short stacking energy: -107.896
Base-Backbone interact. energy: -0.756
local terms energy: -159.736520
where:
bonds (distance) C4'-P energy: -36.046
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -38.758
flat angles P-C4'-P energy: -26.908
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -302.197959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.197959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.197959 (E_RNA)
where:
Base-Base interactions energy: -148.846
where: short stacking energy: -88.552
Base-Backbone interact. energy: 0.654
local terms energy: -154.005663
where:
bonds (distance) C4'-P energy: -41.065
bonds (distance) P-C4' energy: -40.622
flat angles C4'-P-C4' energy: -36.966
flat angles P-C4'-P energy: -18.888
tors. eta vs tors. theta energy: -16.464
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: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -192.962154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.962154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.962154 (E_RNA)
where:
Base-Base interactions energy: -71.504
where: short stacking energy: -59.135
Base-Backbone interact. energy: -1.347
local terms energy: -120.111441
where:
bonds (distance) C4'-P energy: -29.940
bonds (distance) P-C4' energy: -41.342
flat angles C4'-P-C4' energy: -39.201
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: 5.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -197.604898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.604898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.604898 (E_RNA)
where:
Base-Base interactions energy: -63.131
where: short stacking energy: -48.099
Base-Backbone interact. energy: -0.593
local terms energy: -133.881039
where:
bonds (distance) C4'-P energy: -40.797
bonds (distance) P-C4' energy: -38.476
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -22.431
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: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -180.812896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.812896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.812896 (E_RNA)
where:
Base-Base interactions energy: -54.283
where: short stacking energy: -41.309
Base-Backbone interact. energy: -0.705
local terms energy: -125.824431
where:
bonds (distance) C4'-P energy: -35.647
bonds (distance) P-C4' energy: -36.281
flat angles C4'-P-C4' energy: -36.949
flat angles P-C4'-P energy: -21.056
tors. eta vs tors. theta energy: 4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -645.160687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.160687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.160687 (E_RNA)
where:
Base-Base interactions energy: -418.313
where: short stacking energy: -211.557
Base-Backbone interact. energy: -1.070
local terms energy: -225.777861
where:
bonds (distance) C4'-P energy: -41.664
bonds (distance) P-C4' energy: -47.938
flat angles C4'-P-C4' energy: -47.178
flat angles P-C4'-P energy: -31.713
tors. eta vs tors. theta energy: -57.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -617.335196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.335196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.335196 (E_RNA)
where:
Base-Base interactions energy: -398.580
where: short stacking energy: -189.811
Base-Backbone interact. energy: -0.402
local terms energy: -218.352727
where:
bonds (distance) C4'-P energy: -46.917
bonds (distance) P-C4' energy: -44.600
flat angles C4'-P-C4' energy: -42.668
flat angles P-C4'-P energy: -31.639
tors. eta vs tors. theta energy: -52.529
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: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -605.013446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.013446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.013446 (E_RNA)
where:
Base-Base interactions energy: -398.019
where: short stacking energy: -186.894
Base-Backbone interact. energy: -0.084
local terms energy: -206.909660
where:
bonds (distance) C4'-P energy: -36.209
bonds (distance) P-C4' energy: -39.808
flat angles C4'-P-C4' energy: -43.538
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: -55.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -529.703741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.703741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.703741 (E_RNA)
where:
Base-Base interactions energy: -330.693
where: short stacking energy: -149.202
Base-Backbone interact. energy: -0.454
local terms energy: -198.556156
where:
bonds (distance) C4'-P energy: -35.763
bonds (distance) P-C4' energy: -38.917
flat angles C4'-P-C4' energy: -42.342
flat angles P-C4'-P energy: -36.413
tors. eta vs tors. theta energy: -45.121
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: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -493.189499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.189499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.189499 (E_RNA)
where:
Base-Base interactions energy: -318.388
where: short stacking energy: -141.380
Base-Backbone interact. energy: -0.118
local terms energy: -174.683980
where:
bonds (distance) C4'-P energy: -36.776
bonds (distance) P-C4' energy: -38.315
flat angles C4'-P-C4' energy: -44.765
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -33.823
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: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -310.875534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.875534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.875534 (E_RNA)
where:
Base-Base interactions energy: -165.449
where: short stacking energy: -83.830
Base-Backbone interact. energy: -1.420
local terms energy: -144.006018
where:
bonds (distance) C4'-P energy: -34.210
bonds (distance) P-C4' energy: -36.954
flat angles C4'-P-C4' energy: -29.583
flat angles P-C4'-P energy: -29.013
tors. eta vs tors. theta energy: -14.245
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: 10
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -350.795260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.795260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.795260 (E_RNA)
where:
Base-Base interactions energy: -192.923
where: short stacking energy: -98.509
Base-Backbone interact. energy: -1.187
local terms energy: -156.685059
where:
bonds (distance) C4'-P energy: -30.248
bonds (distance) P-C4' energy: -38.367
flat angles C4'-P-C4' energy: -36.249
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -213.041612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.041612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.041612 (E_RNA)
where:
Base-Base interactions energy: -75.728
where: short stacking energy: -58.333
Base-Backbone interact. energy: -0.994
local terms energy: -136.319126
where:
bonds (distance) C4'-P energy: -38.033
bonds (distance) P-C4' energy: -40.019
flat angles C4'-P-C4' energy: -26.128
flat angles P-C4'-P energy: -31.632
tors. eta vs tors. theta energy: -0.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -232.888914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.888914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.888914 (E_RNA)
where:
Base-Base interactions energy: -92.764
where: short stacking energy: -63.222
Base-Backbone interact. energy: -0.078
local terms energy: -140.046571
where:
bonds (distance) C4'-P energy: -34.681
bonds (distance) P-C4' energy: -35.389
flat angles C4'-P-C4' energy: -39.122
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -9.142
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: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -200.903312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.903312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.903312 (E_RNA)
where:
Base-Base interactions energy: -67.448
where: short stacking energy: -68.640
Base-Backbone interact. energy: 0.096
local terms energy: -133.552027
where:
bonds (distance) C4'-P energy: -36.629
bonds (distance) P-C4' energy: -35.404
flat angles C4'-P-C4' energy: -41.386
flat angles P-C4'-P energy: -21.640
tors. eta vs tors. theta energy: 1.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -636.976117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.976117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.976117 (E_RNA)
where:
Base-Base interactions energy: -411.858
where: short stacking energy: -196.494
Base-Backbone interact. energy: -0.839
local terms energy: -224.279157
where:
bonds (distance) C4'-P energy: -41.564
bonds (distance) P-C4' energy: -46.425
flat angles C4'-P-C4' energy: -45.765
flat angles P-C4'-P energy: -33.824
tors. eta vs tors. theta energy: -56.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -611.213863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.213863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.213863 (E_RNA)
where:
Base-Base interactions energy: -396.859
where: short stacking energy: -164.710
Base-Backbone interact. energy: -0.719
local terms energy: -213.635909
where:
bonds (distance) C4'-P energy: -43.768
bonds (distance) P-C4' energy: -41.214
flat angles C4'-P-C4' energy: -43.690
flat angles P-C4'-P energy: -32.669
tors. eta vs tors. theta energy: -52.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -605.503536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.503536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.503536 (E_RNA)
where:
Base-Base interactions energy: -390.031
where: short stacking energy: -186.259
Base-Backbone interact. energy: -0.101
local terms energy: -215.371173
where:
bonds (distance) C4'-P energy: -36.934
bonds (distance) P-C4' energy: -37.854
flat angles C4'-P-C4' energy: -51.844
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -55.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -539.126222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.126222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.126222 (E_RNA)
where:
Base-Base interactions energy: -345.217
where: short stacking energy: -159.660
Base-Backbone interact. energy: 1.346
local terms energy: -195.255908
where:
bonds (distance) C4'-P energy: -33.712
bonds (distance) P-C4' energy: -46.291
flat angles C4'-P-C4' energy: -39.682
flat angles P-C4'-P energy: -31.322
tors. eta vs tors. theta energy: -44.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -498.562790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.562790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.562790 (E_RNA)
where:
Base-Base interactions energy: -305.505
where: short stacking energy: -144.024
Base-Backbone interact. energy: -0.524
local terms energy: -192.533669
where:
bonds (distance) C4'-P energy: -38.622
bonds (distance) P-C4' energy: -47.552
flat angles C4'-P-C4' energy: -39.951
flat angles P-C4'-P energy: -29.497
tors. eta vs tors. theta energy: -36.912
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: 1
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -380.486876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.486876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.486876 (E_RNA)
where:
Base-Base interactions energy: -210.964
where: short stacking energy: -116.962
Base-Backbone interact. energy: -1.261
local terms energy: -168.262371
where:
bonds (distance) C4'-P energy: -40.598
bonds (distance) P-C4' energy: -36.732
flat angles C4'-P-C4' energy: -42.573
flat angles P-C4'-P energy: -18.939
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -331.600187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.600187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.600187 (E_RNA)
where:
Base-Base interactions energy: -188.258
where: short stacking energy: -94.177
Base-Backbone interact. energy: 2.941
local terms energy: -146.283300
where:
bonds (distance) C4'-P energy: -43.963
bonds (distance) P-C4' energy: -34.625
flat angles C4'-P-C4' energy: -25.778
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -22.288
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: 246
Temperature: 1.250000
Total energy: -209.891682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.891682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.891682 (E_RNA)
where:
Base-Base interactions energy: -85.536
where: short stacking energy: -62.181
Base-Backbone interact. energy: -1.177
local terms energy: -123.178526
where:
bonds (distance) C4'-P energy: -31.447
bonds (distance) P-C4' energy: -35.516
flat angles C4'-P-C4' energy: -33.781
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -0.294
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: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -187.234112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.234112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.234112 (E_RNA)
where:
Base-Base interactions energy: -67.031
where: short stacking energy: -60.479
Base-Backbone interact. energy: -0.288
local terms energy: -119.915037
where:
bonds (distance) C4'-P energy: -30.749
bonds (distance) P-C4' energy: -38.947
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -26.749
tors. eta vs tors. theta energy: 8.325
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: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -182.954016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.954016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.954016 (E_RNA)
where:
Base-Base interactions energy: -62.490
where: short stacking energy: -48.078
Base-Backbone interact. energy: -0.126
local terms energy: -120.337376
where:
bonds (distance) C4'-P energy: -33.382
bonds (distance) P-C4' energy: -33.444
flat angles C4'-P-C4' energy: -31.872
flat angles P-C4'-P energy: -26.597
tors. eta vs tors. theta energy: 4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -650.574546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.574546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.574546 (E_RNA)
where:
Base-Base interactions energy: -427.419
where: short stacking energy: -200.440
Base-Backbone interact. energy: -0.297
local terms energy: -222.858306
where:
bonds (distance) C4'-P energy: -42.415
bonds (distance) P-C4' energy: -37.400
flat angles C4'-P-C4' energy: -48.584
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -59.856
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: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -620.950244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.950244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.950244 (E_RNA)
where:
Base-Base interactions energy: -403.847
where: short stacking energy: -172.065
Base-Backbone interact. energy: 0.647
local terms energy: -217.749694
where:
bonds (distance) C4'-P energy: -38.734
bonds (distance) P-C4' energy: -46.644
flat angles C4'-P-C4' energy: -44.001
flat angles P-C4'-P energy: -32.827
tors. eta vs tors. theta energy: -55.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -616.833222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.833222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.833222 (E_RNA)
where:
Base-Base interactions energy: -398.730
where: short stacking energy: -205.663
Base-Backbone interact. energy: -0.764
local terms energy: -217.338820
where:
bonds (distance) C4'-P energy: -37.907
bonds (distance) P-C4' energy: -40.884
flat angles C4'-P-C4' energy: -49.916
flat angles P-C4'-P energy: -26.609
tors. eta vs tors. theta energy: -62.022
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: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -527.702531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.702531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.702531 (E_RNA)
where:
Base-Base interactions energy: -342.110
where: short stacking energy: -154.940
Base-Backbone interact. energy: -0.825
local terms energy: -184.767963
where:
bonds (distance) C4'-P energy: -44.416
bonds (distance) P-C4' energy: -32.634
flat angles C4'-P-C4' energy: -42.031
flat angles P-C4'-P energy: -28.741
tors. eta vs tors. theta energy: -36.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -481.715767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.715767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.715767 (E_RNA)
where:
Base-Base interactions energy: -307.197
where: short stacking energy: -151.424
Base-Backbone interact. energy: -0.454
local terms energy: -174.065097
where:
bonds (distance) C4'-P energy: -34.065
bonds (distance) P-C4' energy: -41.638
flat angles C4'-P-C4' energy: -39.877
flat angles P-C4'-P energy: -22.846
tors. eta vs tors. theta energy: -35.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -331.107278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.107278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.107278 (E_RNA)
where:
Base-Base interactions energy: -177.760
where: short stacking energy: -105.527
Base-Backbone interact. energy: -0.363
local terms energy: -152.984023
where:
bonds (distance) C4'-P energy: -37.815
bonds (distance) P-C4' energy: -37.932
flat angles C4'-P-C4' energy: -39.079
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -328.938639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.938639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.938639 (E_RNA)
where:
Base-Base interactions energy: -172.212
where: short stacking energy: -91.817
Base-Backbone interact. energy: 0.609
local terms energy: -157.334962
where:
bonds (distance) C4'-P energy: -42.225
bonds (distance) P-C4' energy: -42.255
flat angles C4'-P-C4' energy: -36.045
flat angles P-C4'-P energy: -22.694
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -198.689762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.689762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.689762 (E_RNA)
where:
Base-Base interactions energy: -81.513
where: short stacking energy: -61.124
Base-Backbone interact. energy: -0.445
local terms energy: -116.731853
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -35.486
flat angles P-C4'-P energy: -23.631
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: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -183.085743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.085743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.085743 (E_RNA)
where:
Base-Base interactions energy: -50.513
where: short stacking energy: -51.713
Base-Backbone interact. energy: -0.705
local terms energy: -131.867437
where:
bonds (distance) C4'-P energy: -37.633
bonds (distance) P-C4' energy: -45.820
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -25.301
tors. eta vs tors. theta energy: 6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -194.517178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.517178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.517178 (E_RNA)
where:
Base-Base interactions energy: -59.342
where: short stacking energy: -47.413
Base-Backbone interact. energy: 1.825
local terms energy: -137.000563
where:
bonds (distance) C4'-P energy: -33.088
bonds (distance) P-C4' energy: -41.796
flat angles C4'-P-C4' energy: -36.826
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -657.537514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.537514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.537514 (E_RNA)
where:
Base-Base interactions energy: -424.022
where: short stacking energy: -201.645
Base-Backbone interact. energy: -0.203
local terms energy: -233.312425
where:
bonds (distance) C4'-P energy: -34.550
bonds (distance) P-C4' energy: -52.906
flat angles C4'-P-C4' energy: -51.963
flat angles P-C4'-P energy: -36.436
tors. eta vs tors. theta energy: -57.457
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: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -629.986340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.986340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.986340 (E_RNA)
where:
Base-Base interactions energy: -408.019
where: short stacking energy: -197.643
Base-Backbone interact. energy: 0.351
local terms energy: -222.318579
where:
bonds (distance) C4'-P energy: -46.519
bonds (distance) P-C4' energy: -35.726
flat angles C4'-P-C4' energy: -51.211
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -57.236
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: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -622.904348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.904348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.904348 (E_RNA)
where:
Base-Base interactions energy: -418.757
where: short stacking energy: -189.269
Base-Backbone interact. energy: -0.532
local terms energy: -203.614475
where:
bonds (distance) C4'-P energy: -40.004
bonds (distance) P-C4' energy: -35.387
flat angles C4'-P-C4' energy: -41.618
flat angles P-C4'-P energy: -29.260
tors. eta vs tors. theta energy: -57.345
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: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -494.434925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.434925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.434925 (E_RNA)
where:
Base-Base interactions energy: -333.082
where: short stacking energy: -150.698
Base-Backbone interact. energy: -1.083
local terms energy: -160.269538
where:
bonds (distance) C4'-P energy: -28.653
bonds (distance) P-C4' energy: -37.549
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -43.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -500.593187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.593187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.593187 (E_RNA)
where:
Base-Base interactions energy: -309.793
where: short stacking energy: -140.080
Base-Backbone interact. energy: -0.251
local terms energy: -190.549268
where:
bonds (distance) C4'-P energy: -41.414
bonds (distance) P-C4' energy: -39.631
flat angles C4'-P-C4' energy: -38.927
flat angles P-C4'-P energy: -29.835
tors. eta vs tors. theta energy: -40.742
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: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -361.473252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.473252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.473252 (E_RNA)
where:
Base-Base interactions energy: -187.439
where: short stacking energy: -118.354
Base-Backbone interact. energy: 0.402
local terms energy: -174.436829
where:
bonds (distance) C4'-P energy: -38.540
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -45.977
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -26.901
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: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -300.754766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.754766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.754766 (E_RNA)
where:
Base-Base interactions energy: -129.099
where: short stacking energy: -81.426
Base-Backbone interact. energy: -0.483
local terms energy: -171.172824
where:
bonds (distance) C4'-P energy: -40.860
bonds (distance) P-C4' energy: -43.558
flat angles C4'-P-C4' energy: -43.297
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -217.103759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.103759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.103759 (E_RNA)
where:
Base-Base interactions energy: -86.263
where: short stacking energy: -76.186
Base-Backbone interact. energy: -0.138
local terms energy: -130.702453
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -41.539
flat angles C4'-P-C4' energy: -35.992
flat angles P-C4'-P energy: -22.067
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: 9, replica: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -193.655632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.655632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.655632 (E_RNA)
where:
Base-Base interactions energy: -54.548
where: short stacking energy: -41.296
Base-Backbone interact. energy: -0.627
local terms energy: -138.480353
where:
bonds (distance) C4'-P energy: -39.220
bonds (distance) P-C4' energy: -40.483
flat angles C4'-P-C4' energy: -43.165
flat angles P-C4'-P energy: -25.234
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: 10, replica: 6
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -197.955217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.955217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.955217 (E_RNA)
where:
Base-Base interactions energy: -76.387
where: short stacking energy: -52.166
Base-Backbone interact. energy: 2.636
local terms energy: -124.203585
where:
bonds (distance) C4'-P energy: -38.035
bonds (distance) P-C4' energy: -42.318
flat angles C4'-P-C4' energy: -25.359
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -0.371
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: 5
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -653.322663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.322663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.322663 (E_RNA)
where:
Base-Base interactions energy: -428.075
where: short stacking energy: -201.331
Base-Backbone interact. energy: -0.072
local terms energy: -225.175762
where:
bonds (distance) C4'-P energy: -42.936
bonds (distance) P-C4' energy: -52.053
flat angles C4'-P-C4' energy: -46.405
flat angles P-C4'-P energy: -30.273
tors. eta vs tors. theta energy: -53.509
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: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -653.344961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.344961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.344961 (E_RNA)
where:
Base-Base interactions energy: -428.238
where: short stacking energy: -205.523
Base-Backbone interact. energy: 0.267
local terms energy: -225.373720
where:
bonds (distance) C4'-P energy: -45.960
bonds (distance) P-C4' energy: -38.588
flat angles C4'-P-C4' energy: -46.515
flat angles P-C4'-P energy: -32.224
tors. eta vs tors. theta energy: -62.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -610.510772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.510772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.510772 (E_RNA)
where:
Base-Base interactions energy: -415.116
where: short stacking energy: -188.250
Base-Backbone interact. energy: 0.173
local terms energy: -195.568437
where:
bonds (distance) C4'-P energy: -37.168
bonds (distance) P-C4' energy: -36.088
flat angles C4'-P-C4' energy: -42.794
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -52.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -505.548996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.548996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.548996 (E_RNA)
where:
Base-Base interactions energy: -321.869
where: short stacking energy: -155.229
Base-Backbone interact. energy: -0.462
local terms energy: -183.217926
where:
bonds (distance) C4'-P energy: -33.895
bonds (distance) P-C4' energy: -39.707
flat angles C4'-P-C4' energy: -44.535
flat angles P-C4'-P energy: -26.006
tors. eta vs tors. theta energy: -39.075
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: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -491.456344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.456344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.456344 (E_RNA)
where:
Base-Base interactions energy: -318.781
where: short stacking energy: -155.913
Base-Backbone interact. energy: -1.086
local terms energy: -171.589468
where:
bonds (distance) C4'-P energy: -31.648
bonds (distance) P-C4' energy: -41.066
flat angles C4'-P-C4' energy: -39.830
flat angles P-C4'-P energy: -25.857
tors. eta vs tors. theta energy: -33.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -327.037166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.037166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.037166 (E_RNA)
where:
Base-Base interactions energy: -165.481
where: short stacking energy: -99.167
Base-Backbone interact. energy: -0.684
local terms energy: -160.872846
where:
bonds (distance) C4'-P energy: -41.223
bonds (distance) P-C4' energy: -42.113
flat angles C4'-P-C4' energy: -40.558
flat angles P-C4'-P energy: -26.147
tors. eta vs tors. theta energy: -10.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -342.462771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.462771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.462771 (E_RNA)
where:
Base-Base interactions energy: -200.981
where: short stacking energy: -105.843
Base-Backbone interact. energy: -0.425
local terms energy: -141.056500
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -23.573
flat angles C4'-P-C4' energy: -42.062
flat angles P-C4'-P energy: -23.980
tors. eta vs tors. theta energy: -31.106
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: 249
Temperature: 1.250000
Total energy: -214.127176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.127176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.127176 (E_RNA)
where:
Base-Base interactions energy: -78.173
where: short stacking energy: -63.611
Base-Backbone interact. energy: -1.172
local terms energy: -134.781971
where:
bonds (distance) C4'-P energy: -32.412
bonds (distance) P-C4' energy: -36.210
flat angles C4'-P-C4' energy: -35.064
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -255.379479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.379479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.379479 (E_RNA)
where:
Base-Base interactions energy: -119.717
where: short stacking energy: -71.569
Base-Backbone interact. energy: -0.410
local terms energy: -135.251849
where:
bonds (distance) C4'-P energy: -31.308
bonds (distance) P-C4' energy: -32.203
flat angles C4'-P-C4' energy: -43.928
flat angles P-C4'-P energy: -19.615
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -182.863557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.863557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.863557 (E_RNA)
where:
Base-Base interactions energy: -66.452
where: short stacking energy: -60.938
Base-Backbone interact. energy: 0.758
local terms energy: -117.169711
where:
bonds (distance) C4'-P energy: -29.914
bonds (distance) P-C4' energy: -39.364
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: 3.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -646.615656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.615656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.615656 (E_RNA)
where:
Base-Base interactions energy: -418.354
where: short stacking energy: -208.788
Base-Backbone interact. energy: -0.113
local terms energy: -228.148582
where:
bonds (distance) C4'-P energy: -43.028
bonds (distance) P-C4' energy: -47.357
flat angles C4'-P-C4' energy: -44.430
flat angles P-C4'-P energy: -36.116
tors. eta vs tors. theta energy: -57.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -625.701975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.701975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.701975 (E_RNA)
where:
Base-Base interactions energy: -407.519
where: short stacking energy: -190.262
Base-Backbone interact. energy: 3.960
local terms energy: -222.142906
where:
bonds (distance) C4'-P energy: -42.704
bonds (distance) P-C4' energy: -45.582
flat angles C4'-P-C4' energy: -46.342
flat angles P-C4'-P energy: -30.678
tors. eta vs tors. theta energy: -56.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -604.031909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.031909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.031909 (E_RNA)
where:
Base-Base interactions energy: -395.740
where: short stacking energy: -170.864
Base-Backbone interact. energy: -0.414
local terms energy: -207.877990
where:
bonds (distance) C4'-P energy: -40.790
bonds (distance) P-C4' energy: -39.845
flat angles C4'-P-C4' energy: -47.367
flat angles P-C4'-P energy: -27.402
tors. eta vs tors. theta energy: -52.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -510.717938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.717938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.717938 (E_RNA)
where:
Base-Base interactions energy: -332.306
where: short stacking energy: -142.664
Base-Backbone interact. energy: -0.493
local terms energy: -177.918568
where:
bonds (distance) C4'-P energy: -39.786
bonds (distance) P-C4' energy: -25.248
flat angles C4'-P-C4' energy: -50.788
flat angles P-C4'-P energy: -28.283
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: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -482.802271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.802271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.802271 (E_RNA)
where:
Base-Base interactions energy: -304.782
where: short stacking energy: -143.714
Base-Backbone interact. energy: -1.036
local terms energy: -176.984107
where:
bonds (distance) C4'-P energy: -42.229
bonds (distance) P-C4' energy: -44.603
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -22.457
tors. eta vs tors. theta energy: -34.184
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: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -323.969286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.969286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.969286 (E_RNA)
where:
Base-Base interactions energy: -163.664
where: short stacking energy: -97.114
Base-Backbone interact. energy: -0.296
local terms energy: -160.009377
where:
bonds (distance) C4'-P energy: -39.952
bonds (distance) P-C4' energy: -37.556
flat angles C4'-P-C4' energy: -44.596
flat angles P-C4'-P energy: -25.779
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -310.258342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.258342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.258342 (E_RNA)
where:
Base-Base interactions energy: -160.433
where: short stacking energy: -102.020
Base-Backbone interact. energy: -0.462
local terms energy: -149.363567
where:
bonds (distance) C4'-P energy: -39.552
bonds (distance) P-C4' energy: -37.451
flat angles C4'-P-C4' energy: -31.222
flat angles P-C4'-P energy: -23.273
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -214.375079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.375079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.375079 (E_RNA)
where:
Base-Base interactions energy: -88.292
where: short stacking energy: -77.789
Base-Backbone interact. energy: 0.117
local terms energy: -126.199361
where:
bonds (distance) C4'-P energy: -33.007
bonds (distance) P-C4' energy: -47.781
flat angles C4'-P-C4' energy: -28.473
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -289.286711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.286711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.286711 (E_RNA)
where:
Base-Base interactions energy: -145.859
where: short stacking energy: -88.414
Base-Backbone interact. energy: -0.608
local terms energy: -142.819612
where:
bonds (distance) C4'-P energy: -44.118
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -29.064
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -201.935584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.935584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.935584 (E_RNA)
where:
Base-Base interactions energy: -69.645
where: short stacking energy: -56.866
Base-Backbone interact. energy: -0.619
local terms energy: -131.671886
where:
bonds (distance) C4'-P energy: -35.578
bonds (distance) P-C4' energy: -33.738
flat angles C4'-P-C4' energy: -38.122
flat angles P-C4'-P energy: -23.455
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -647.328644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.328644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.328644 (E_RNA)
where:
Base-Base interactions energy: -421.277
where: short stacking energy: -204.175
Base-Backbone interact. energy: -0.603
local terms energy: -225.448633
where:
bonds (distance) C4'-P energy: -47.403
bonds (distance) P-C4' energy: -36.315
flat angles C4'-P-C4' energy: -47.355
flat angles P-C4'-P energy: -35.826
tors. eta vs tors. theta energy: -58.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -610.556884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.556884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.556884 (E_RNA)
where:
Base-Base interactions energy: -419.176
where: short stacking energy: -190.624
Base-Backbone interact. energy: 2.741
local terms energy: -194.121834
where:
bonds (distance) C4'-P energy: -31.790
bonds (distance) P-C4' energy: -40.756
flat angles C4'-P-C4' energy: -43.099
flat angles P-C4'-P energy: -23.149
tors. eta vs tors. theta energy: -55.328
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: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -616.975199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.975199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.975199 (E_RNA)
where:
Base-Base interactions energy: -415.315
where: short stacking energy: -202.790
Base-Backbone interact. energy: -0.171
local terms energy: -201.490095
where:
bonds (distance) C4'-P energy: -35.943
bonds (distance) P-C4' energy: -34.262
flat angles C4'-P-C4' energy: -38.034
flat angles P-C4'-P energy: -35.901
tors. eta vs tors. theta energy: -57.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -511.275095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.275095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.275095 (E_RNA)
where:
Base-Base interactions energy: -313.131
where: short stacking energy: -147.158
Base-Backbone interact. energy: -0.431
local terms energy: -197.713224
where:
bonds (distance) C4'-P energy: -41.382
bonds (distance) P-C4' energy: -48.164
flat angles C4'-P-C4' energy: -36.149
flat angles P-C4'-P energy: -30.474
tors. eta vs tors. theta energy: -41.544
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: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -525.338906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.338906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.338906 (E_RNA)
where:
Base-Base interactions energy: -337.499
where: short stacking energy: -173.640
Base-Backbone interact. energy: 1.090
local terms energy: -188.930121
where:
bonds (distance) C4'-P energy: -35.058
bonds (distance) P-C4' energy: -39.234
flat angles C4'-P-C4' energy: -46.150
flat angles P-C4'-P energy: -18.590
tors. eta vs tors. theta energy: -49.899
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: 1
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -323.478680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.478680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.478680 (E_RNA)
where:
Base-Base interactions energy: -160.713
where: short stacking energy: -109.657
Base-Backbone interact. energy: -0.716
local terms energy: -162.049926
where:
bonds (distance) C4'-P energy: -33.682
bonds (distance) P-C4' energy: -39.800
flat angles C4'-P-C4' energy: -43.661
flat angles P-C4'-P energy: -25.075
tors. eta vs tors. theta energy: -19.832
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: 251
Temperature: 1.200000
Total energy: -322.708581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.708581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.708581 (E_RNA)
where:
Base-Base interactions energy: -165.783
where: short stacking energy: -92.489
Base-Backbone interact. energy: -0.942
local terms energy: -155.983642
where:
bonds (distance) C4'-P energy: -35.177
bonds (distance) P-C4' energy: -36.474
flat angles C4'-P-C4' energy: -41.681
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -17.677
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: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -276.857766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.857766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.857766 (E_RNA)
where:
Base-Base interactions energy: -142.362
where: short stacking energy: -82.293
Base-Backbone interact. energy: -1.098
local terms energy: -133.398483
where:
bonds (distance) C4'-P energy: -32.296
bonds (distance) P-C4' energy: -33.911
flat angles C4'-P-C4' energy: -40.452
flat angles P-C4'-P energy: -19.145
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: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -195.229238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.229238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.229238 (E_RNA)
where:
Base-Base interactions energy: -82.824
where: short stacking energy: -70.002
Base-Backbone interact. energy: 0.989
local terms energy: -113.394142
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -34.344
flat angles C4'-P-C4' energy: -34.552
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -6.036
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: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -173.576805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.576805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.576805 (E_RNA)
where:
Base-Base interactions energy: -58.005
where: short stacking energy: -52.979
Base-Backbone interact. energy: 0.675
local terms energy: -116.247204
where:
bonds (distance) C4'-P energy: -36.007
bonds (distance) P-C4' energy: -44.051
flat angles C4'-P-C4' energy: -29.722
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: 9.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -661.676263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.676263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.676263 (E_RNA)
where:
Base-Base interactions energy: -427.569
where: short stacking energy: -189.805
Base-Backbone interact. energy: -1.391
local terms energy: -232.716016
where:
bonds (distance) C4'-P energy: -44.671
bonds (distance) P-C4' energy: -43.580
flat angles C4'-P-C4' energy: -48.936
flat angles P-C4'-P energy: -37.735
tors. eta vs tors. theta energy: -57.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -655.135766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.135766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.135766 (E_RNA)
where:
Base-Base interactions energy: -430.669
where: short stacking energy: -212.063
Base-Backbone interact. energy: -0.487
local terms energy: -223.980486
where:
bonds (distance) C4'-P energy: -40.811
bonds (distance) P-C4' energy: -35.016
flat angles C4'-P-C4' energy: -46.528
flat angles P-C4'-P energy: -34.703
tors. eta vs tors. theta energy: -66.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -625.774594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.774594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.774594 (E_RNA)
where:
Base-Base interactions energy: -398.229
where: short stacking energy: -192.668
Base-Backbone interact. energy: -1.373
local terms energy: -226.173073
where:
bonds (distance) C4'-P energy: -42.136
bonds (distance) P-C4' energy: -43.280
flat angles C4'-P-C4' energy: -44.714
flat angles P-C4'-P energy: -31.951
tors. eta vs tors. theta energy: -64.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -485.298499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.298499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.298499 (E_RNA)
where:
Base-Base interactions energy: -306.957
where: short stacking energy: -132.378
Base-Backbone interact. energy: 0.375
local terms energy: -178.717218
where:
bonds (distance) C4'-P energy: -39.407
bonds (distance) P-C4' energy: -39.552
flat angles C4'-P-C4' energy: -42.165
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -35.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -497.904867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.904867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.904867 (E_RNA)
where:
Base-Base interactions energy: -319.830
where: short stacking energy: -135.153
Base-Backbone interact. energy: -0.048
local terms energy: -178.026696
where:
bonds (distance) C4'-P energy: -42.909
bonds (distance) P-C4' energy: -37.851
flat angles C4'-P-C4' energy: -38.492
flat angles P-C4'-P energy: -26.495
tors. eta vs tors. theta energy: -32.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -326.180686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.180686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.180686 (E_RNA)
where:
Base-Base interactions energy: -172.190
where: short stacking energy: -111.013
Base-Backbone interact. energy: -0.972
local terms energy: -153.018910
where:
bonds (distance) C4'-P energy: -41.257
bonds (distance) P-C4' energy: -33.556
flat angles C4'-P-C4' energy: -36.296
flat angles P-C4'-P energy: -18.519
tors. eta vs tors. theta energy: -23.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -329.121436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.121436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.121436 (E_RNA)
where:
Base-Base interactions energy: -174.853
where: short stacking energy: -106.091
Base-Backbone interact. energy: 1.468
local terms energy: -155.735524
where:
bonds (distance) C4'-P energy: -44.353
bonds (distance) P-C4' energy: -34.443
flat angles C4'-P-C4' energy: -38.057
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -22.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -275.256594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.256594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.256594 (E_RNA)
where:
Base-Base interactions energy: -134.524
where: short stacking energy: -93.405
Base-Backbone interact. energy: -0.307
local terms energy: -140.425877
where:
bonds (distance) C4'-P energy: -28.438
bonds (distance) P-C4' energy: -40.544
flat angles C4'-P-C4' energy: -37.419
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -215.696207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.696207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.696207 (E_RNA)
where:
Base-Base interactions energy: -95.384
where: short stacking energy: -64.508
Base-Backbone interact. energy: -0.483
local terms energy: -119.829572
where:
bonds (distance) C4'-P energy: -33.891
bonds (distance) P-C4' energy: -26.917
flat angles C4'-P-C4' energy: -33.089
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -173.369272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.369272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.369272 (E_RNA)
where:
Base-Base interactions energy: -65.755
where: short stacking energy: -49.362
Base-Backbone interact. energy: 2.131
local terms energy: -109.745907
where:
bonds (distance) C4'-P energy: -38.884
bonds (distance) P-C4' energy: -33.987
flat angles C4'-P-C4' energy: -36.455
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: 11.114
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: 253
Temperature: 0.900000
Total energy: -650.790081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.790081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.790081 (E_RNA)
where:
Base-Base interactions energy: -419.712
where: short stacking energy: -188.594
Base-Backbone interact. energy: -0.507
local terms energy: -230.571599
where:
bonds (distance) C4'-P energy: -42.465
bonds (distance) P-C4' energy: -44.188
flat angles C4'-P-C4' energy: -42.708
flat angles P-C4'-P energy: -44.120
tors. eta vs tors. theta energy: -57.091
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: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -656.565598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.565598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.565598 (E_RNA)
where:
Base-Base interactions energy: -420.488
where: short stacking energy: -203.216
Base-Backbone interact. energy: -0.993
local terms energy: -235.084807
where:
bonds (distance) C4'-P energy: -43.882
bonds (distance) P-C4' energy: -42.534
flat angles C4'-P-C4' energy: -47.076
flat angles P-C4'-P energy: -34.992
tors. eta vs tors. theta energy: -66.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -631.392741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.392741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.392741 (E_RNA)
where:
Base-Base interactions energy: -417.247
where: short stacking energy: -200.624
Base-Backbone interact. energy: -0.516
local terms energy: -213.629732
where:
bonds (distance) C4'-P energy: -38.492
bonds (distance) P-C4' energy: -44.963
flat angles C4'-P-C4' energy: -42.930
flat angles P-C4'-P energy: -29.301
tors. eta vs tors. theta energy: -57.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -510.036871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.036871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.036871 (E_RNA)
where:
Base-Base interactions energy: -330.506
where: short stacking energy: -153.716
Base-Backbone interact. energy: 0.636
local terms energy: -180.166033
where:
bonds (distance) C4'-P energy: -38.414
bonds (distance) P-C4' energy: -41.897
flat angles C4'-P-C4' energy: -38.118
flat angles P-C4'-P energy: -22.332
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: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -482.241683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.241683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.241683 (E_RNA)
where:
Base-Base interactions energy: -305.289
where: short stacking energy: -137.745
Base-Backbone interact. energy: -0.624
local terms energy: -176.327758
where:
bonds (distance) C4'-P energy: -35.961
bonds (distance) P-C4' energy: -37.501
flat angles C4'-P-C4' energy: -41.739
flat angles P-C4'-P energy: -23.891
tors. eta vs tors. theta energy: -37.236
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: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -339.245180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.245180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.245180 (E_RNA)
where:
Base-Base interactions energy: -189.612
where: short stacking energy: -118.212
Base-Backbone interact. energy: -0.596
local terms energy: -149.037306
where:
bonds (distance) C4'-P energy: -30.023
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -42.239
flat angles P-C4'-P energy: -22.363
tors. eta vs tors. theta energy: -24.075
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: 7, replica: 10
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -318.810031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.810031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.810031 (E_RNA)
where:
Base-Base interactions energy: -183.745
where: short stacking energy: -103.488
Base-Backbone interact. energy: 0.321
local terms energy: -135.385881
where:
bonds (distance) C4'-P energy: -28.184
bonds (distance) P-C4' energy: -39.748
flat angles C4'-P-C4' energy: -33.310
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -267.435806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.435806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.435806 (E_RNA)
where:
Base-Base interactions energy: -136.747
where: short stacking energy: -73.557
Base-Backbone interact. energy: -0.093
local terms energy: -130.595938
where:
bonds (distance) C4'-P energy: -40.043
bonds (distance) P-C4' energy: -34.033
flat angles C4'-P-C4' energy: -30.988
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -3.627
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: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -204.358311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.358311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.358311 (E_RNA)
where:
Base-Base interactions energy: -74.793
where: short stacking energy: -57.318
Base-Backbone interact. energy: 0.620
local terms energy: -130.185084
where:
bonds (distance) C4'-P energy: -38.105
bonds (distance) P-C4' energy: -31.209
flat angles C4'-P-C4' energy: -34.545
flat angles P-C4'-P energy: -23.919
tors. eta vs tors. theta energy: -2.407
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: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -180.986846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.986846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.986846 (E_RNA)
where:
Base-Base interactions energy: -76.927
where: short stacking energy: -62.818
Base-Backbone interact. energy: -0.526
local terms energy: -103.533276
where:
bonds (distance) C4'-P energy: -26.639
bonds (distance) P-C4' energy: -32.326
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -648.283031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.283031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.283031 (E_RNA)
where:
Base-Base interactions energy: -424.530
where: short stacking energy: -190.327
Base-Backbone interact. energy: 2.945
local terms energy: -226.698684
where:
bonds (distance) C4'-P energy: -42.500
bonds (distance) P-C4' energy: -43.311
flat angles C4'-P-C4' energy: -47.771
flat angles P-C4'-P energy: -33.529
tors. eta vs tors. theta energy: -59.587
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: 254
Temperature: 0.950000
Total energy: -632.078683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.078683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.078683 (E_RNA)
where:
Base-Base interactions energy: -413.039
where: short stacking energy: -184.598
Base-Backbone interact. energy: -1.049
local terms energy: -217.989984
where:
bonds (distance) C4'-P energy: -35.353
bonds (distance) P-C4' energy: -46.470
flat angles C4'-P-C4' energy: -49.300
flat angles P-C4'-P energy: -30.906
tors. eta vs tors. theta energy: -55.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -596.974786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.974786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.974786 (E_RNA)
where:
Base-Base interactions energy: -379.189
where: short stacking energy: -175.016
Base-Backbone interact. energy: -0.037
local terms energy: -217.748202
where:
bonds (distance) C4'-P energy: -35.994
bonds (distance) P-C4' energy: -43.894
flat angles C4'-P-C4' energy: -44.836
flat angles P-C4'-P energy: -37.141
tors. eta vs tors. theta energy: -55.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -518.226757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.226757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.226757 (E_RNA)
where:
Base-Base interactions energy: -329.750
where: short stacking energy: -146.988
Base-Backbone interact. energy: 0.540
local terms energy: -189.016882
where:
bonds (distance) C4'-P energy: -41.978
bonds (distance) P-C4' energy: -42.952
flat angles C4'-P-C4' energy: -42.749
flat angles P-C4'-P energy: -22.142
tors. eta vs tors. theta energy: -39.196
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: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -497.521970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.521970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.521970 (E_RNA)
where:
Base-Base interactions energy: -315.115
where: short stacking energy: -150.472
Base-Backbone interact. energy: -1.018
local terms energy: -181.389487
where:
bonds (distance) C4'-P energy: -42.690
bonds (distance) P-C4' energy: -35.926
flat angles C4'-P-C4' energy: -35.730
flat angles P-C4'-P energy: -27.897
tors. eta vs tors. theta energy: -39.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -345.934687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.934687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.934687 (E_RNA)
where:
Base-Base interactions energy: -189.599
where: short stacking energy: -123.987
Base-Backbone interact. energy: -0.483
local terms energy: -155.853339
where:
bonds (distance) C4'-P energy: -30.463
bonds (distance) P-C4' energy: -39.474
flat angles C4'-P-C4' energy: -37.962
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -24.040
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: 10
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -342.148574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.148574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.148574 (E_RNA)
where:
Base-Base interactions energy: -184.652
where: short stacking energy: -120.130
Base-Backbone interact. energy: -0.148
local terms energy: -157.347946
where:
bonds (distance) C4'-P energy: -35.274
bonds (distance) P-C4' energy: -35.972
flat angles C4'-P-C4' energy: -37.485
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -22.844
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: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -263.669694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.669694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.669694 (E_RNA)
where:
Base-Base interactions energy: -122.824
where: short stacking energy: -74.800
Base-Backbone interact. energy: 0.132
local terms energy: -140.977682
where:
bonds (distance) C4'-P energy: -47.374
bonds (distance) P-C4' energy: -40.829
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -1.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -191.077780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.077780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.077780 (E_RNA)
where:
Base-Base interactions energy: -59.123
where: short stacking energy: -52.907
Base-Backbone interact. energy: 1.294
local terms energy: -133.249107
where:
bonds (distance) C4'-P energy: -39.055
bonds (distance) P-C4' energy: -39.348
flat angles C4'-P-C4' energy: -27.663
flat angles P-C4'-P energy: -24.536
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: 10, replica: 9
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -185.406234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.406234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.406234 (E_RNA)
where:
Base-Base interactions energy: -58.978
where: short stacking energy: -49.196
Base-Backbone interact. energy: 0.368
local terms energy: -126.796291
where:
bonds (distance) C4'-P energy: -37.628
bonds (distance) P-C4' energy: -46.868
flat angles C4'-P-C4' energy: -33.609
flat angles P-C4'-P energy: -15.691
tors. eta vs tors. theta energy: 7.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -683.054303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.054303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.054303 (E_RNA)
where:
Base-Base interactions energy: -439.396
where: short stacking energy: -215.688
Base-Backbone interact. energy: -0.848
local terms energy: -242.810017
where:
bonds (distance) C4'-P energy: -43.890
bonds (distance) P-C4' energy: -48.003
flat angles C4'-P-C4' energy: -46.389
flat angles P-C4'-P energy: -39.428
tors. eta vs tors. theta energy: -65.101
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: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -622.789149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.789149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.789149 (E_RNA)
where:
Base-Base interactions energy: -405.627
where: short stacking energy: -192.981
Base-Backbone interact. energy: -0.214
local terms energy: -216.948024
where:
bonds (distance) C4'-P energy: -37.720
bonds (distance) P-C4' energy: -41.338
flat angles C4'-P-C4' energy: -52.266
flat angles P-C4'-P energy: -29.886
tors. eta vs tors. theta energy: -55.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -623.212916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.212916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.212916 (E_RNA)
where:
Base-Base interactions energy: -397.700
where: short stacking energy: -188.691
Base-Backbone interact. energy: -0.843
local terms energy: -224.669585
where:
bonds (distance) C4'-P energy: -48.851
bonds (distance) P-C4' energy: -43.942
flat angles C4'-P-C4' energy: -42.042
flat angles P-C4'-P energy: -31.676
tors. eta vs tors. theta energy: -58.159
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: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -502.571379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.571379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.571379 (E_RNA)
where:
Base-Base interactions energy: -302.121
where: short stacking energy: -150.207
Base-Backbone interact. energy: 0.550
local terms energy: -201.000193
where:
bonds (distance) C4'-P energy: -42.697
bonds (distance) P-C4' energy: -45.674
flat angles C4'-P-C4' energy: -44.019
flat angles P-C4'-P energy: -30.884
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: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -477.867306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.867306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.867306 (E_RNA)
where:
Base-Base interactions energy: -313.782
where: short stacking energy: -139.213
Base-Backbone interact. energy: -0.602
local terms energy: -163.484020
where:
bonds (distance) C4'-P energy: -36.622
bonds (distance) P-C4' energy: -41.621
flat angles C4'-P-C4' energy: -33.769
flat angles P-C4'-P energy: -20.444
tors. eta vs tors. theta energy: -31.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -337.568923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.568923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.568923 (E_RNA)
where:
Base-Base interactions energy: -188.664
where: short stacking energy: -107.346
Base-Backbone interact. energy: -0.721
local terms energy: -148.183989
where:
bonds (distance) C4'-P energy: -38.525
bonds (distance) P-C4' energy: -34.084
flat angles C4'-P-C4' energy: -41.045
flat angles P-C4'-P energy: -22.284
tors. eta vs tors. theta energy: -12.245
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: 255
Temperature: 1.200000
Total energy: -296.705537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.705537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.705537 (E_RNA)
where:
Base-Base interactions energy: -154.443
where: short stacking energy: -97.495
Base-Backbone interact. energy: -1.162
local terms energy: -141.100063
where:
bonds (distance) C4'-P energy: -33.909
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -41.659
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -22.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -257.661950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.661950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.661950 (E_RNA)
where:
Base-Base interactions energy: -130.520
where: short stacking energy: -78.109
Base-Backbone interact. energy: 2.059
local terms energy: -129.201150
where:
bonds (distance) C4'-P energy: -32.898
bonds (distance) P-C4' energy: -37.127
flat angles C4'-P-C4' energy: -38.068
flat angles P-C4'-P energy: -18.388
tors. eta vs tors. theta energy: -2.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -193.737898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.737898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.737898 (E_RNA)
where:
Base-Base interactions energy: -70.434
where: short stacking energy: -66.678
Base-Backbone interact. energy: 0.029
local terms energy: -123.332072
where:
bonds (distance) C4'-P energy: -33.839
bonds (distance) P-C4' energy: -44.869
flat angles C4'-P-C4' energy: -34.019
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -180.956512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.956512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.956512 (E_RNA)
where:
Base-Base interactions energy: -67.535
where: short stacking energy: -54.871
Base-Backbone interact. energy: -0.633
local terms energy: -112.789250
where:
bonds (distance) C4'-P energy: -39.620
bonds (distance) P-C4' energy: -33.029
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: 1.462
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: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -663.660019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.660019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.660019 (E_RNA)
where:
Base-Base interactions energy: -428.917
where: short stacking energy: -207.524
Base-Backbone interact. energy: -0.222
local terms energy: -234.520910
where:
bonds (distance) C4'-P energy: -42.528
bonds (distance) P-C4' energy: -44.820
flat angles C4'-P-C4' energy: -49.711
flat angles P-C4'-P energy: -34.442
tors. eta vs tors. theta energy: -63.019
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: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -603.333745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.333745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.333745 (E_RNA)
where:
Base-Base interactions energy: -398.329
where: short stacking energy: -182.039
Base-Backbone interact. energy: -0.146
local terms energy: -204.857854
where:
bonds (distance) C4'-P energy: -38.252
bonds (distance) P-C4' energy: -43.733
flat angles C4'-P-C4' energy: -41.926
flat angles P-C4'-P energy: -31.755
tors. eta vs tors. theta energy: -49.193
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: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -620.878222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.878222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.878222 (E_RNA)
where:
Base-Base interactions energy: -402.423
where: short stacking energy: -175.840
Base-Backbone interact. energy: -0.921
local terms energy: -217.534065
where:
bonds (distance) C4'-P energy: -37.423
bonds (distance) P-C4' energy: -43.730
flat angles C4'-P-C4' energy: -42.691
flat angles P-C4'-P energy: -34.080
tors. eta vs tors. theta energy: -59.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -490.633427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.633427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.633427 (E_RNA)
where:
Base-Base interactions energy: -299.587
where: short stacking energy: -134.082
Base-Backbone interact. energy: 1.050
local terms energy: -192.097121
where:
bonds (distance) C4'-P energy: -34.334
bonds (distance) P-C4' energy: -31.796
flat angles C4'-P-C4' energy: -49.757
flat angles P-C4'-P energy: -35.416
tors. eta vs tors. theta energy: -40.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -471.249253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.249253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.249253 (E_RNA)
where:
Base-Base interactions energy: -299.436
where: short stacking energy: -140.843
Base-Backbone interact. energy: -0.980
local terms energy: -170.833317
where:
bonds (distance) C4'-P energy: -36.699
bonds (distance) P-C4' energy: -46.513
flat angles C4'-P-C4' energy: -44.156
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -30.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -336.458238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.458238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.458238 (E_RNA)
where:
Base-Base interactions energy: -175.106
where: short stacking energy: -91.674
Base-Backbone interact. energy: 2.394
local terms energy: -163.746074
where:
bonds (distance) C4'-P energy: -37.054
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -41.175
flat angles P-C4'-P energy: -22.209
tors. eta vs tors. theta energy: -20.237
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: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -282.963651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.963651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.963651 (E_RNA)
where:
Base-Base interactions energy: -131.326
where: short stacking energy: -88.356
Base-Backbone interact. energy: 0.100
local terms energy: -151.737849
where:
bonds (distance) C4'-P energy: -39.784
bonds (distance) P-C4' energy: -39.125
flat angles C4'-P-C4' energy: -36.070
flat angles P-C4'-P energy: -17.556
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -297.314610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.314610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.314610 (E_RNA)
where:
Base-Base interactions energy: -150.832
where: short stacking energy: -88.847
Base-Backbone interact. energy: -0.042
local terms energy: -146.440537
where:
bonds (distance) C4'-P energy: -40.684
bonds (distance) P-C4' energy: -37.901
flat angles C4'-P-C4' energy: -34.235
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -15.563
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: 256
Temperature: 1.300000
Total energy: -211.134537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.134537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.134537 (E_RNA)
where:
Base-Base interactions energy: -80.083
where: short stacking energy: -63.066
Base-Backbone interact. energy: -0.702
local terms energy: -130.349519
where:
bonds (distance) C4'-P energy: -33.796
bonds (distance) P-C4' energy: -38.542
flat angles C4'-P-C4' energy: -38.910
flat angles P-C4'-P energy: -19.246
tors. eta vs tors. theta energy: 0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -186.451325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.451325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.451325 (E_RNA)
where:
Base-Base interactions energy: -73.755
where: short stacking energy: -57.000
Base-Backbone interact. energy: -0.025
local terms energy: -112.671568
where:
bonds (distance) C4'-P energy: -34.402
bonds (distance) P-C4' energy: -37.460
flat angles C4'-P-C4' energy: -23.314
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: 7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -668.910093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.910093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.910093 (E_RNA)
where:
Base-Base interactions energy: -430.871
where: short stacking energy: -205.250
Base-Backbone interact. energy: 0.224
local terms energy: -238.263699
where:
bonds (distance) C4'-P energy: -45.529
bonds (distance) P-C4' energy: -45.207
flat angles C4'-P-C4' energy: -47.228
flat angles P-C4'-P energy: -34.473
tors. eta vs tors. theta energy: -65.827
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: 257
Temperature: 0.950000
Total energy: -627.441632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.441632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.441632 (E_RNA)
where:
Base-Base interactions energy: -407.062
where: short stacking energy: -192.843
Base-Backbone interact. energy: 0.590
local terms energy: -220.969990
where:
bonds (distance) C4'-P energy: -44.748
bonds (distance) P-C4' energy: -40.839
flat angles C4'-P-C4' energy: -44.431
flat angles P-C4'-P energy: -33.079
tors. eta vs tors. theta energy: -57.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -595.432607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.432607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.432607 (E_RNA)
where:
Base-Base interactions energy: -383.049
where: short stacking energy: -173.895
Base-Backbone interact. energy: -1.015
local terms energy: -211.368536
where:
bonds (distance) C4'-P energy: -34.049
bonds (distance) P-C4' energy: -44.357
flat angles C4'-P-C4' energy: -52.059
flat angles P-C4'-P energy: -31.750
tors. eta vs tors. theta energy: -49.153
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: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -488.937541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.937541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.937541 (E_RNA)
where:
Base-Base interactions energy: -294.290
where: short stacking energy: -146.499
Base-Backbone interact. energy: -0.483
local terms energy: -194.164673
where:
bonds (distance) C4'-P energy: -42.524
bonds (distance) P-C4' energy: -42.517
flat angles C4'-P-C4' energy: -43.832
flat angles P-C4'-P energy: -28.201
tors. eta vs tors. theta energy: -37.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -500.844942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.844942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.844942 (E_RNA)
where:
Base-Base interactions energy: -320.894
where: short stacking energy: -136.768
Base-Backbone interact. energy: 0.759
local terms energy: -180.709601
where:
bonds (distance) C4'-P energy: -38.359
bonds (distance) P-C4' energy: -43.651
flat angles C4'-P-C4' energy: -37.999
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: -34.361
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: 257
Temperature: 1.150000
Total energy: -355.186352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.186352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.186352 (E_RNA)
where:
Base-Base interactions energy: -195.465
where: short stacking energy: -108.356
Base-Backbone interact. energy: -1.297
local terms energy: -158.424962
where:
bonds (distance) C4'-P energy: -34.430
bonds (distance) P-C4' energy: -39.843
flat angles C4'-P-C4' energy: -28.022
flat angles P-C4'-P energy: -30.877
tors. eta vs tors. theta energy: -25.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -274.792974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.792974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.792974 (E_RNA)
where:
Base-Base interactions energy: -128.281
where: short stacking energy: -81.095
Base-Backbone interact. energy: -0.636
local terms energy: -145.875579
where:
bonds (distance) C4'-P energy: -41.302
bonds (distance) P-C4' energy: -40.331
flat angles C4'-P-C4' energy: -29.362
flat angles P-C4'-P energy: -21.969
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -291.154293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.154293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.154293 (E_RNA)
where:
Base-Base interactions energy: -150.489
where: short stacking energy: -83.327
Base-Backbone interact. energy: -1.213
local terms energy: -139.452241
where:
bonds (distance) C4'-P energy: -31.023
bonds (distance) P-C4' energy: -32.191
flat angles C4'-P-C4' energy: -40.008
flat angles P-C4'-P energy: -25.048
tors. eta vs tors. theta energy: -11.182
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: 257
Temperature: 1.300000
Total energy: -181.725921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.725921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.725921 (E_RNA)
where:
Base-Base interactions energy: -72.444
where: short stacking energy: -59.210
Base-Backbone interact. energy: 1.851
local terms energy: -111.133125
where:
bonds (distance) C4'-P energy: -38.554
bonds (distance) P-C4' energy: -29.259
flat angles C4'-P-C4' energy: -30.913
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: 3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -189.754432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.754432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.754432 (E_RNA)
where:
Base-Base interactions energy: -62.690
where: short stacking energy: -58.152
Base-Backbone interact. energy: -1.134
local terms energy: -125.930479
where:
bonds (distance) C4'-P energy: -40.251
bonds (distance) P-C4' energy: -36.483
flat angles C4'-P-C4' energy: -22.610
flat angles P-C4'-P energy: -23.352
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -672.043819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.043819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.043819 (E_RNA)
where:
Base-Base interactions energy: -446.346
where: short stacking energy: -202.994
Base-Backbone interact. energy: 0.909
local terms energy: -226.607414
where:
bonds (distance) C4'-P energy: -46.438
bonds (distance) P-C4' energy: -46.770
flat angles C4'-P-C4' energy: -40.910
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -62.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -630.236283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.236283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.236283 (E_RNA)
where:
Base-Base interactions energy: -408.311
where: short stacking energy: -192.345
Base-Backbone interact. energy: 0.636
local terms energy: -222.561706
where:
bonds (distance) C4'-P energy: -40.638
bonds (distance) P-C4' energy: -41.988
flat angles C4'-P-C4' energy: -45.241
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -58.402
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: 3, replica: 3
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -603.787887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.787887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.787887 (E_RNA)
where:
Base-Base interactions energy: -396.896
where: short stacking energy: -170.400
Base-Backbone interact. energy: -0.738
local terms energy: -206.154204
where:
bonds (distance) C4'-P energy: -40.665
bonds (distance) P-C4' energy: -46.014
flat angles C4'-P-C4' energy: -45.949
flat angles P-C4'-P energy: -31.737
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: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -508.784739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.784739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.784739 (E_RNA)
where:
Base-Base interactions energy: -331.387
where: short stacking energy: -159.025
Base-Backbone interact. energy: 1.505
local terms energy: -178.902416
where:
bonds (distance) C4'-P energy: -42.345
bonds (distance) P-C4' energy: -30.793
flat angles C4'-P-C4' energy: -30.582
flat angles P-C4'-P energy: -33.009
tors. eta vs tors. theta energy: -42.173
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: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -489.396523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.396523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.396523 (E_RNA)
where:
Base-Base interactions energy: -307.695
where: short stacking energy: -152.659
Base-Backbone interact. energy: 1.300
local terms energy: -183.001574
where:
bonds (distance) C4'-P energy: -31.993
bonds (distance) P-C4' energy: -42.370
flat angles C4'-P-C4' energy: -45.231
flat angles P-C4'-P energy: -24.899
tors. eta vs tors. theta energy: -38.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -309.299953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.299953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.299953 (E_RNA)
where:
Base-Base interactions energy: -151.466
where: short stacking energy: -92.723
Base-Backbone interact. energy: -0.917
local terms energy: -156.916105
where:
bonds (distance) C4'-P energy: -41.656
bonds (distance) P-C4' energy: -40.248
flat angles C4'-P-C4' energy: -44.148
flat angles P-C4'-P energy: -25.160
tors. eta vs tors. theta energy: -5.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -310.616488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.616488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.616488 (E_RNA)
where:
Base-Base interactions energy: -157.701
where: short stacking energy: -76.424
Base-Backbone interact. energy: 3.342
local terms energy: -156.257452
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -44.649
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -23.519
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -237.255104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.255104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.255104 (E_RNA)
where:
Base-Base interactions energy: -114.267
where: short stacking energy: -59.979
Base-Backbone interact. energy: -0.017
local terms energy: -122.970921
where:
bonds (distance) C4'-P energy: -38.469
bonds (distance) P-C4' energy: -39.993
flat angles C4'-P-C4' energy: -31.864
flat angles P-C4'-P energy: -17.706
tors. eta vs tors. theta energy: 5.060
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: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -202.562631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.562631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.562631 (E_RNA)
where:
Base-Base interactions energy: -72.079
where: short stacking energy: -58.227
Base-Backbone interact. energy: -0.974
local terms energy: -129.509845
where:
bonds (distance) C4'-P energy: -39.461
bonds (distance) P-C4' energy: -44.642
flat angles C4'-P-C4' energy: -38.249
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: 0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -200.525848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.525848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.525848 (E_RNA)
where:
Base-Base interactions energy: -89.763
where: short stacking energy: -65.479
Base-Backbone interact. energy: -0.319
local terms energy: -110.444262
where:
bonds (distance) C4'-P energy: -35.301
bonds (distance) P-C4' energy: -38.392
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: 3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -663.113619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.113619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.113619 (E_RNA)
where:
Base-Base interactions energy: -426.645
where: short stacking energy: -214.772
Base-Backbone interact. energy: -0.093
local terms energy: -236.376333
where:
bonds (distance) C4'-P energy: -46.809
bonds (distance) P-C4' energy: -46.020
flat angles C4'-P-C4' energy: -49.706
flat angles P-C4'-P energy: -28.891
tors. eta vs tors. theta energy: -64.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -622.364423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.364423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.364423 (E_RNA)
where:
Base-Base interactions energy: -395.391
where: short stacking energy: -191.388
Base-Backbone interact. energy: -0.067
local terms energy: -226.906770
where:
bonds (distance) C4'-P energy: -46.517
bonds (distance) P-C4' energy: -45.617
flat angles C4'-P-C4' energy: -44.837
flat angles P-C4'-P energy: -39.500
tors. eta vs tors. theta energy: -50.436
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: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -595.141367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.141367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.141367 (E_RNA)
where:
Base-Base interactions energy: -391.274
where: short stacking energy: -165.561
Base-Backbone interact. energy: -0.683
local terms energy: -203.184092
where:
bonds (distance) C4'-P energy: -45.979
bonds (distance) P-C4' energy: -43.996
flat angles C4'-P-C4' energy: -43.838
flat angles P-C4'-P energy: -21.948
tors. eta vs tors. theta energy: -47.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -526.865765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.865765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.865765 (E_RNA)
where:
Base-Base interactions energy: -342.029
where: short stacking energy: -154.096
Base-Backbone interact. energy: 1.037
local terms energy: -185.873260
where:
bonds (distance) C4'-P energy: -38.088
bonds (distance) P-C4' energy: -40.121
flat angles C4'-P-C4' energy: -39.612
flat angles P-C4'-P energy: -27.705
tors. eta vs tors. theta energy: -40.348
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: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -495.203101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.203101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.203101 (E_RNA)
where:
Base-Base interactions energy: -309.191
where: short stacking energy: -139.758
Base-Backbone interact. energy: -0.419
local terms energy: -185.592597
where:
bonds (distance) C4'-P energy: -40.797
bonds (distance) P-C4' energy: -35.540
flat angles C4'-P-C4' energy: -34.302
flat angles P-C4'-P energy: -34.713
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: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -322.671143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.671143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.671143 (E_RNA)
where:
Base-Base interactions energy: -166.876
where: short stacking energy: -97.196
Base-Backbone interact. energy: 5.345
local terms energy: -161.140261
where:
bonds (distance) C4'-P energy: -43.699
bonds (distance) P-C4' energy: -37.966
flat angles C4'-P-C4' energy: -40.288
flat angles P-C4'-P energy: -23.936
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -289.947369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.947369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.947369 (E_RNA)
where:
Base-Base interactions energy: -145.383
where: short stacking energy: -97.826
Base-Backbone interact. energy: 0.055
local terms energy: -144.619498
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -27.529
flat angles C4'-P-C4' energy: -36.537
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -220.659488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.659488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.659488 (E_RNA)
where:
Base-Base interactions energy: -96.528
where: short stacking energy: -62.011
Base-Backbone interact. energy: -1.560
local terms energy: -122.571127
where:
bonds (distance) C4'-P energy: -38.546
bonds (distance) P-C4' energy: -40.091
flat angles C4'-P-C4' energy: -32.175
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -205.173464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.173464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.173464 (E_RNA)
where:
Base-Base interactions energy: -74.100
where: short stacking energy: -55.826
Base-Backbone interact. energy: -0.876
local terms energy: -130.197551
where:
bonds (distance) C4'-P energy: -30.135
bonds (distance) P-C4' energy: -44.354
flat angles C4'-P-C4' energy: -32.374
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -198.412116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.412116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.412116 (E_RNA)
where:
Base-Base interactions energy: -66.689
where: short stacking energy: -53.880
Base-Backbone interact. energy: 1.725
local terms energy: -133.447747
where:
bonds (distance) C4'-P energy: -38.685
bonds (distance) P-C4' energy: -40.771
flat angles C4'-P-C4' energy: -37.301
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: 0.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -659.640038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.640038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.640038 (E_RNA)
where:
Base-Base interactions energy: -434.090
where: short stacking energy: -199.739
Base-Backbone interact. energy: -0.763
local terms energy: -224.787318
where:
bonds (distance) C4'-P energy: -41.337
bonds (distance) P-C4' energy: -50.128
flat angles C4'-P-C4' energy: -48.103
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: -58.126
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: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -626.678602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.678602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.678602 (E_RNA)
where:
Base-Base interactions energy: -410.157
where: short stacking energy: -198.768
Base-Backbone interact. energy: 0.027
local terms energy: -216.548687
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -41.469
flat angles C4'-P-C4' energy: -49.017
flat angles P-C4'-P energy: -31.860
tors. eta vs tors. theta energy: -60.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -588.265300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.265300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.265300 (E_RNA)
where:
Base-Base interactions energy: -380.383
where: short stacking energy: -166.300
Base-Backbone interact. energy: 0.076
local terms energy: -207.957803
where:
bonds (distance) C4'-P energy: -43.568
bonds (distance) P-C4' energy: -42.699
flat angles C4'-P-C4' energy: -47.256
flat angles P-C4'-P energy: -29.715
tors. eta vs tors. theta energy: -44.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -524.049569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.049569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.049569 (E_RNA)
where:
Base-Base interactions energy: -320.980
where: short stacking energy: -156.486
Base-Backbone interact. energy: -0.516
local terms energy: -202.553319
where:
bonds (distance) C4'-P energy: -41.242
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -38.581
flat angles P-C4'-P energy: -29.278
tors. eta vs tors. theta energy: -44.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -494.503239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.503239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.503239 (E_RNA)
where:
Base-Base interactions energy: -317.145
where: short stacking energy: -157.470
Base-Backbone interact. energy: -0.147
local terms energy: -177.211158
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -34.557
flat angles C4'-P-C4' energy: -38.850
flat angles P-C4'-P energy: -28.453
tors. eta vs tors. theta energy: -42.057
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: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -318.575143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.575143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.575143 (E_RNA)
where:
Base-Base interactions energy: -162.314
where: short stacking energy: -96.160
Base-Backbone interact. energy: -0.893
local terms energy: -155.368408
where:
bonds (distance) C4'-P energy: -47.177
bonds (distance) P-C4' energy: -43.340
flat angles C4'-P-C4' energy: -37.040
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -346.906500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.906500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.906500 (E_RNA)
where:
Base-Base interactions energy: -186.319
where: short stacking energy: -112.320
Base-Backbone interact. energy: 1.024
local terms energy: -161.610987
where:
bonds (distance) C4'-P energy: -33.755
bonds (distance) P-C4' energy: -40.811
flat angles C4'-P-C4' energy: -39.224
flat angles P-C4'-P energy: -22.208
tors. eta vs tors. theta energy: -25.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -253.449903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.449903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.449903 (E_RNA)
where:
Base-Base interactions energy: -125.954
where: short stacking energy: -64.953
Base-Backbone interact. energy: -2.506
local terms energy: -124.990242
where:
bonds (distance) C4'-P energy: -38.762
bonds (distance) P-C4' energy: -39.338
flat angles C4'-P-C4' energy: -24.546
flat angles P-C4'-P energy: -22.464
tors. eta vs tors. theta energy: 0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -188.610687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.610687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.610687 (E_RNA)
where:
Base-Base interactions energy: -45.320
where: short stacking energy: -35.910
Base-Backbone interact. energy: 0.017
local terms energy: -143.307240
where:
bonds (distance) C4'-P energy: -45.601
bonds (distance) P-C4' energy: -40.442
flat angles C4'-P-C4' energy: -34.352
flat angles P-C4'-P energy: -20.739
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -182.362611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.362611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.362611 (E_RNA)
where:
Base-Base interactions energy: -71.272
where: short stacking energy: -59.234
Base-Backbone interact. energy: 4.869
local terms energy: -115.959464
where:
bonds (distance) C4'-P energy: -28.641
bonds (distance) P-C4' energy: -41.382
flat angles C4'-P-C4' energy: -35.479
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: 7.153
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: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -668.374250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.374250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.374250 (E_RNA)
where:
Base-Base interactions energy: -445.079
where: short stacking energy: -217.759
Base-Backbone interact. energy: 0.069
local terms energy: -223.363281
where:
bonds (distance) C4'-P energy: -43.340
bonds (distance) P-C4' energy: -36.987
flat angles C4'-P-C4' energy: -44.506
flat angles P-C4'-P energy: -34.040
tors. eta vs tors. theta energy: -64.490
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: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -607.630455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.630455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.630455 (E_RNA)
where:
Base-Base interactions energy: -404.537
where: short stacking energy: -165.687
Base-Backbone interact. energy: -1.025
local terms energy: -202.068425
where:
bonds (distance) C4'-P energy: -36.965
bonds (distance) P-C4' energy: -43.707
flat angles C4'-P-C4' energy: -44.080
flat angles P-C4'-P energy: -33.690
tors. eta vs tors. theta energy: -43.627
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: 3, replica: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -629.102054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.102054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.102054 (E_RNA)
where:
Base-Base interactions energy: -411.173
where: short stacking energy: -204.146
Base-Backbone interact. energy: -0.060
local terms energy: -217.869083
where:
bonds (distance) C4'-P energy: -42.772
bonds (distance) P-C4' energy: -39.618
flat angles C4'-P-C4' energy: -45.104
flat angles P-C4'-P energy: -30.512
tors. eta vs tors. theta energy: -59.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -525.578436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.578436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.578436 (E_RNA)
where:
Base-Base interactions energy: -334.649
where: short stacking energy: -142.889
Base-Backbone interact. energy: -1.476
local terms energy: -189.453444
where:
bonds (distance) C4'-P energy: -36.900
bonds (distance) P-C4' energy: -48.258
flat angles C4'-P-C4' energy: -45.099
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -39.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -484.346983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.346983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.346983 (E_RNA)
where:
Base-Base interactions energy: -301.319
where: short stacking energy: -146.251
Base-Backbone interact. energy: 0.420
local terms energy: -183.447346
where:
bonds (distance) C4'-P energy: -31.122
bonds (distance) P-C4' energy: -44.873
flat angles C4'-P-C4' energy: -40.498
flat angles P-C4'-P energy: -25.595
tors. eta vs tors. theta energy: -41.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -306.548979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.548979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.548979 (E_RNA)
where:
Base-Base interactions energy: -151.175
where: short stacking energy: -91.210
Base-Backbone interact. energy: -0.914
local terms energy: -154.460215
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -44.115
flat angles C4'-P-C4' energy: -38.927
flat angles P-C4'-P energy: -25.107
tors. eta vs tors. theta energy: -13.794
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: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -322.049685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.049685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.049685 (E_RNA)
where:
Base-Base interactions energy: -160.413
where: short stacking energy: -108.321
Base-Backbone interact. energy: -0.405
local terms energy: -161.231761
where:
bonds (distance) C4'-P energy: -35.922
bonds (distance) P-C4' energy: -39.322
flat angles C4'-P-C4' energy: -37.213
flat angles P-C4'-P energy: -28.806
tors. eta vs tors. theta energy: -19.968
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: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -220.544001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.544001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.544001 (E_RNA)
where:
Base-Base interactions energy: -105.781
where: short stacking energy: -65.287
Base-Backbone interact. energy: -0.577
local terms energy: -114.185960
where:
bonds (distance) C4'-P energy: -32.132
bonds (distance) P-C4' energy: -36.449
flat angles C4'-P-C4' energy: -33.697
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: 0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -196.862070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.862070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.862070 (E_RNA)
where:
Base-Base interactions energy: -73.489
where: short stacking energy: -61.214
Base-Backbone interact. energy: -0.772
local terms energy: -122.601080
where:
bonds (distance) C4'-P energy: -34.071
bonds (distance) P-C4' energy: -39.741
flat angles C4'-P-C4' energy: -32.017
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: 1.554
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: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -174.506715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.506715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.506715 (E_RNA)
where:
Base-Base interactions energy: -59.647
where: short stacking energy: -54.933
Base-Backbone interact. energy: -1.101
local terms energy: -113.758880
where:
bonds (distance) C4'-P energy: -26.783
bonds (distance) P-C4' energy: -38.079
flat angles C4'-P-C4' energy: -33.361
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -663.631202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.631202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.631202 (E_RNA)
where:
Base-Base interactions energy: -430.346
where: short stacking energy: -210.625
Base-Backbone interact. energy: -0.492
local terms energy: -232.793119
where:
bonds (distance) C4'-P energy: -46.074
bonds (distance) P-C4' energy: -44.040
flat angles C4'-P-C4' energy: -43.361
flat angles P-C4'-P energy: -36.849
tors. eta vs tors. theta energy: -62.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -603.038111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.038111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.038111 (E_RNA)
where:
Base-Base interactions energy: -376.443
where: short stacking energy: -164.322
Base-Backbone interact. energy: 0.190
local terms energy: -226.785468
where:
bonds (distance) C4'-P energy: -45.141
bonds (distance) P-C4' energy: -46.693
flat angles C4'-P-C4' energy: -50.753
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -47.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -636.144697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.144697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.144697 (E_RNA)
where:
Base-Base interactions energy: -420.264
where: short stacking energy: -198.100
Base-Backbone interact. energy: -0.277
local terms energy: -215.603425
where:
bonds (distance) C4'-P energy: -33.471
bonds (distance) P-C4' energy: -45.735
flat angles C4'-P-C4' energy: -44.938
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: -59.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -497.968142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.968142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.968142 (E_RNA)
where:
Base-Base interactions energy: -305.116
where: short stacking energy: -142.702
Base-Backbone interact. energy: -0.650
local terms energy: -192.201941
where:
bonds (distance) C4'-P energy: -48.071
bonds (distance) P-C4' energy: -43.068
flat angles C4'-P-C4' energy: -43.480
flat angles P-C4'-P energy: -17.166
tors. eta vs tors. theta energy: -40.416
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: 5, replica: 7
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -476.106661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.106661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.106661 (E_RNA)
where:
Base-Base interactions energy: -298.360
where: short stacking energy: -134.611
Base-Backbone interact. energy: 0.882
local terms energy: -178.628534
where:
bonds (distance) C4'-P energy: -35.847
bonds (distance) P-C4' energy: -39.058
flat angles C4'-P-C4' energy: -41.658
flat angles P-C4'-P energy: -32.806
tors. eta vs tors. theta energy: -29.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -336.349241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.349241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.349241 (E_RNA)
where:
Base-Base interactions energy: -168.641
where: short stacking energy: -99.678
Base-Backbone interact. energy: -0.538
local terms energy: -167.170648
where:
bonds (distance) C4'-P energy: -46.365
bonds (distance) P-C4' energy: -32.352
flat angles C4'-P-C4' energy: -34.385
flat angles P-C4'-P energy: -24.830
tors. eta vs tors. theta energy: -29.239
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: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -318.958480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.958480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.958480 (E_RNA)
where:
Base-Base interactions energy: -164.780
where: short stacking energy: -106.425
Base-Backbone interact. energy: -0.538
local terms energy: -153.640073
where:
bonds (distance) C4'-P energy: -33.705
bonds (distance) P-C4' energy: -38.945
flat angles C4'-P-C4' energy: -34.300
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -25.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -224.030896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.030896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.030896 (E_RNA)
where:
Base-Base interactions energy: -93.755
where: short stacking energy: -58.826
Base-Backbone interact. energy: -0.623
local terms energy: -129.653202
where:
bonds (distance) C4'-P energy: -31.478
bonds (distance) P-C4' energy: -34.589
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -5.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -197.839874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.839874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.839874 (E_RNA)
where:
Base-Base interactions energy: -72.933
where: short stacking energy: -54.800
Base-Backbone interact. energy: 3.763
local terms energy: -128.669619
where:
bonds (distance) C4'-P energy: -38.498
bonds (distance) P-C4' energy: -43.438
flat angles C4'-P-C4' energy: -28.210
flat angles P-C4'-P energy: -18.015
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -178.600385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.600385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.600385 (E_RNA)
where:
Base-Base interactions energy: -50.274
where: short stacking energy: -44.713
Base-Backbone interact. energy: -0.544
local terms energy: -127.782394
where:
bonds (distance) C4'-P energy: -32.005
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -36.567
flat angles P-C4'-P energy: -21.756
tors. eta vs tors. theta energy: 1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -668.531496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.531496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.531496 (E_RNA)
where:
Base-Base interactions energy: -429.754
where: short stacking energy: -220.160
Base-Backbone interact. energy: -1.083
local terms energy: -237.694323
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -47.259
flat angles C4'-P-C4' energy: -49.066
flat angles P-C4'-P energy: -34.044
tors. eta vs tors. theta energy: -64.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -643.129084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.129084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.129084 (E_RNA)
where:
Base-Base interactions energy: -413.916
where: short stacking energy: -194.888
Base-Backbone interact. energy: -0.751
local terms energy: -228.461775
where:
bonds (distance) C4'-P energy: -39.118
bonds (distance) P-C4' energy: -45.904
flat angles C4'-P-C4' energy: -42.767
flat angles P-C4'-P energy: -39.486
tors. eta vs tors. theta energy: -61.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -582.800636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.800636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.800636 (E_RNA)
where:
Base-Base interactions energy: -379.380
where: short stacking energy: -169.367
Base-Backbone interact. energy: -0.229
local terms energy: -203.191473
where:
bonds (distance) C4'-P energy: -36.983
bonds (distance) P-C4' energy: -38.177
flat angles C4'-P-C4' energy: -43.926
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -46.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -481.928969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.928969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.928969 (E_RNA)
where:
Base-Base interactions energy: -313.050
where: short stacking energy: -144.623
Base-Backbone interact. energy: -1.599
local terms energy: -167.279695
where:
bonds (distance) C4'-P energy: -35.903
bonds (distance) P-C4' energy: -37.673
flat angles C4'-P-C4' energy: -41.911
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -27.681
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: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -477.306924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.306924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.306924 (E_RNA)
where:
Base-Base interactions energy: -305.309
where: short stacking energy: -141.977
Base-Backbone interact. energy: -0.151
local terms energy: -171.847231
where:
bonds (distance) C4'-P energy: -33.488
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -36.682
flat angles P-C4'-P energy: -21.912
tors. eta vs tors. theta energy: -36.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -318.886999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.886999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.886999 (E_RNA)
where:
Base-Base interactions energy: -150.341
where: short stacking energy: -82.951
Base-Backbone interact. energy: -0.404
local terms energy: -168.141791
where:
bonds (distance) C4'-P energy: -38.959
bonds (distance) P-C4' energy: -45.052
flat angles C4'-P-C4' energy: -36.905
flat angles P-C4'-P energy: -23.817
tors. eta vs tors. theta energy: -23.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -306.859377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.859377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.859377 (E_RNA)
where:
Base-Base interactions energy: -156.501
where: short stacking energy: -90.701
Base-Backbone interact. energy: 0.168
local terms energy: -150.527040
where:
bonds (distance) C4'-P energy: -33.872
bonds (distance) P-C4' energy: -40.280
flat angles C4'-P-C4' energy: -34.243
flat angles P-C4'-P energy: -21.831
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -207.043520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.043520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.043520 (E_RNA)
where:
Base-Base interactions energy: -74.434
where: short stacking energy: -73.743
Base-Backbone interact. energy: -1.967
local terms energy: -130.643384
where:
bonds (distance) C4'-P energy: -37.880
bonds (distance) P-C4' energy: -41.028
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -19.710
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -196.886409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.886409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.886409 (E_RNA)
where:
Base-Base interactions energy: -61.947
where: short stacking energy: -40.764
Base-Backbone interact. energy: -0.860
local terms energy: -134.079351
where:
bonds (distance) C4'-P energy: -33.947
bonds (distance) P-C4' energy: -42.820
flat angles C4'-P-C4' energy: -36.008
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -169.362133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.362133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.362133 (E_RNA)
where:
Base-Base interactions energy: -49.555
where: short stacking energy: -46.792
Base-Backbone interact. energy: -1.116
local terms energy: -118.690652
where:
bonds (distance) C4'-P energy: -37.985
bonds (distance) P-C4' energy: -38.089
flat angles C4'-P-C4' energy: -27.098
flat angles P-C4'-P energy: -17.400
tors. eta vs tors. theta energy: 1.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -656.704784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.704784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.704784 (E_RNA)
where:
Base-Base interactions energy: -435.339
where: short stacking energy: -207.001
Base-Backbone interact. energy: -0.277
local terms energy: -221.088320
where:
bonds (distance) C4'-P energy: -40.780
bonds (distance) P-C4' energy: -42.911
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -30.370
tors. eta vs tors. theta energy: -56.884
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: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -643.040682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.040682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.040682 (E_RNA)
where:
Base-Base interactions energy: -414.982
where: short stacking energy: -208.441
Base-Backbone interact. energy: -0.465
local terms energy: -227.594343
where:
bonds (distance) C4'-P energy: -40.395
bonds (distance) P-C4' energy: -46.632
flat angles C4'-P-C4' energy: -50.692
flat angles P-C4'-P energy: -29.234
tors. eta vs tors. theta energy: -60.641
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: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -517.062802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.062802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.062802 (E_RNA)
where:
Base-Base interactions energy: -338.097
where: short stacking energy: -138.339
Base-Backbone interact. energy: -0.476
local terms energy: -178.489323
where:
bonds (distance) C4'-P energy: -34.115
bonds (distance) P-C4' energy: -42.285
flat angles C4'-P-C4' energy: -42.115
flat angles P-C4'-P energy: -30.220
tors. eta vs tors. theta energy: -29.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -530.923069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.923069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.923069 (E_RNA)
where:
Base-Base interactions energy: -335.296
where: short stacking energy: -130.621
Base-Backbone interact. energy: -0.870
local terms energy: -194.757319
where:
bonds (distance) C4'-P energy: -39.295
bonds (distance) P-C4' energy: -44.193
flat angles C4'-P-C4' energy: -44.285
flat angles P-C4'-P energy: -31.655
tors. eta vs tors. theta energy: -35.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -486.261826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.261826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.261826 (E_RNA)
where:
Base-Base interactions energy: -307.548
where: short stacking energy: -143.627
Base-Backbone interact. energy: -0.093
local terms energy: -178.621470
where:
bonds (distance) C4'-P energy: -37.470
bonds (distance) P-C4' energy: -39.313
flat angles C4'-P-C4' energy: -45.721
flat angles P-C4'-P energy: -18.968
tors. eta vs tors. theta energy: -37.149
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: 10
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -357.831344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.831344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.831344 (E_RNA)
where:
Base-Base interactions energy: -194.183
where: short stacking energy: -107.965
Base-Backbone interact. energy: -0.265
local terms energy: -163.383231
where:
bonds (distance) C4'-P energy: -34.124
bonds (distance) P-C4' energy: -42.065
flat angles C4'-P-C4' energy: -39.866
flat angles P-C4'-P energy: -28.407
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -332.720484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.720484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.720484 (E_RNA)
where:
Base-Base interactions energy: -176.131
where: short stacking energy: -89.237
Base-Backbone interact. energy: -1.339
local terms energy: -155.250576
where:
bonds (distance) C4'-P energy: -35.077
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -36.134
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -224.747670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.747670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.747670 (E_RNA)
where:
Base-Base interactions energy: -83.484
where: short stacking energy: -73.786
Base-Backbone interact. energy: -2.086
local terms energy: -139.177638
where:
bonds (distance) C4'-P energy: -33.905
bonds (distance) P-C4' energy: -42.754
flat angles C4'-P-C4' energy: -38.840
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -187.958965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.958965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.958965 (E_RNA)
where:
Base-Base interactions energy: -74.963
where: short stacking energy: -68.631
Base-Backbone interact. energy: 0.940
local terms energy: -113.936276
where:
bonds (distance) C4'-P energy: -39.386
bonds (distance) P-C4' energy: -33.322
flat angles C4'-P-C4' energy: -29.750
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: 8.102
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: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -174.655297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.655297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.655297 (E_RNA)
where:
Base-Base interactions energy: -59.507
where: short stacking energy: -53.426
Base-Backbone interact. energy: 1.710
local terms energy: -116.858501
where:
bonds (distance) C4'-P energy: -33.369
bonds (distance) P-C4' energy: -40.828
flat angles C4'-P-C4' energy: -25.232
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -651.064209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.064209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.064209 (E_RNA)
where:
Base-Base interactions energy: -439.932
where: short stacking energy: -220.078
Base-Backbone interact. energy: -0.510
local terms energy: -210.622579
where:
bonds (distance) C4'-P energy: -39.249
bonds (distance) P-C4' energy: -38.136
flat angles C4'-P-C4' energy: -42.554
flat angles P-C4'-P energy: -29.655
tors. eta vs tors. theta energy: -61.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -637.646020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.646020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.646020 (E_RNA)
where:
Base-Base interactions energy: -420.330
where: short stacking energy: -201.930
Base-Backbone interact. energy: -0.352
local terms energy: -216.963887
where:
bonds (distance) C4'-P energy: -42.302
bonds (distance) P-C4' energy: -43.172
flat angles C4'-P-C4' energy: -46.477
flat angles P-C4'-P energy: -28.747
tors. eta vs tors. theta energy: -56.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -518.323755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.323755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.323755 (E_RNA)
where:
Base-Base interactions energy: -327.251
where: short stacking energy: -138.116
Base-Backbone interact. energy: -0.921
local terms energy: -190.151644
where:
bonds (distance) C4'-P energy: -38.582
bonds (distance) P-C4' energy: -46.656
flat angles C4'-P-C4' energy: -37.580
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -40.145
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: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -550.519885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.519885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.519885 (E_RNA)
where:
Base-Base interactions energy: -359.070
where: short stacking energy: -163.433
Base-Backbone interact. energy: 0.883
local terms energy: -192.333103
where:
bonds (distance) C4'-P energy: -36.208
bonds (distance) P-C4' energy: -40.124
flat angles C4'-P-C4' energy: -40.394
flat angles P-C4'-P energy: -35.449
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: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -478.318236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.318236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.318236 (E_RNA)
where:
Base-Base interactions energy: -282.411
where: short stacking energy: -125.256
Base-Backbone interact. energy: -0.306
local terms energy: -195.601470
where:
bonds (distance) C4'-P energy: -43.062
bonds (distance) P-C4' energy: -50.866
flat angles C4'-P-C4' energy: -43.751
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -34.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -313.462624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.462624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.462624 (E_RNA)
where:
Base-Base interactions energy: -158.621
where: short stacking energy: -89.920
Base-Backbone interact. energy: -0.360
local terms energy: -154.482414
where:
bonds (distance) C4'-P energy: -41.223
bonds (distance) P-C4' energy: -41.531
flat angles C4'-P-C4' energy: -36.880
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -10.363
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: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -349.159573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.159573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.159573 (E_RNA)
where:
Base-Base interactions energy: -208.270
where: short stacking energy: -114.117
Base-Backbone interact. energy: -0.816
local terms energy: -140.073958
where:
bonds (distance) C4'-P energy: -26.127
bonds (distance) P-C4' energy: -40.046
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -24.811
tors. eta vs tors. theta energy: -21.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -204.320744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.320744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.320744 (E_RNA)
where:
Base-Base interactions energy: -96.166
where: short stacking energy: -57.634
Base-Backbone interact. energy: -0.640
local terms energy: -107.514419
where:
bonds (distance) C4'-P energy: -38.570
bonds (distance) P-C4' energy: -35.730
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: 8.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -199.474443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.474443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.474443 (E_RNA)
where:
Base-Base interactions energy: -70.119
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.880
local terms energy: -128.475606
where:
bonds (distance) C4'-P energy: -31.581
bonds (distance) P-C4' energy: -43.775
flat angles C4'-P-C4' energy: -40.486
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -177.892604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.892604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.892604 (E_RNA)
where:
Base-Base interactions energy: -57.211
where: short stacking energy: -50.949
Base-Backbone interact. energy: -0.107
local terms energy: -120.573915
where:
bonds (distance) C4'-P energy: -32.356
bonds (distance) P-C4' energy: -35.727
flat angles C4'-P-C4' energy: -33.199
flat angles P-C4'-P energy: -25.331
tors. eta vs tors. theta energy: 6.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -664.916452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.916452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.916452 (E_RNA)
where:
Base-Base interactions energy: -429.407
where: short stacking energy: -206.071
Base-Backbone interact. energy: 0.423
local terms energy: -235.932330
where:
bonds (distance) C4'-P energy: -45.140
bonds (distance) P-C4' energy: -47.181
flat angles C4'-P-C4' energy: -44.464
flat angles P-C4'-P energy: -36.048
tors. eta vs tors. theta energy: -63.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -651.691811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.691811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.691811 (E_RNA)
where:
Base-Base interactions energy: -429.967
where: short stacking energy: -203.332
Base-Backbone interact. energy: 0.323
local terms energy: -222.047416
where:
bonds (distance) C4'-P energy: -35.416
bonds (distance) P-C4' energy: -46.033
flat angles C4'-P-C4' energy: -47.049
flat angles P-C4'-P energy: -32.256
tors. eta vs tors. theta energy: -61.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -582.109352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.109352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.109352 (E_RNA)
where:
Base-Base interactions energy: -394.336
where: short stacking energy: -160.948
Base-Backbone interact. energy: 1.047
local terms energy: -188.820819
where:
bonds (distance) C4'-P energy: -36.307
bonds (distance) P-C4' energy: -39.902
flat angles C4'-P-C4' energy: -48.356
flat angles P-C4'-P energy: -26.651
tors. eta vs tors. theta energy: -37.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -499.760257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.760257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.760257 (E_RNA)
where:
Base-Base interactions energy: -312.296
where: short stacking energy: -147.578
Base-Backbone interact. energy: -0.967
local terms energy: -186.497604
where:
bonds (distance) C4'-P energy: -44.515
bonds (distance) P-C4' energy: -38.016
flat angles C4'-P-C4' energy: -40.763
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -42.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -450.870326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.870326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.870326 (E_RNA)
where:
Base-Base interactions energy: -299.810
where: short stacking energy: -141.390
Base-Backbone interact. energy: -0.662
local terms energy: -150.398242
where:
bonds (distance) C4'-P energy: -25.193
bonds (distance) P-C4' energy: -40.400
flat angles C4'-P-C4' energy: -34.470
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -337.493270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.493270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.493270 (E_RNA)
where:
Base-Base interactions energy: -188.452
where: short stacking energy: -107.325
Base-Backbone interact. energy: -0.979
local terms energy: -148.061651
where:
bonds (distance) C4'-P energy: -43.609
bonds (distance) P-C4' energy: -29.903
flat angles C4'-P-C4' energy: -34.751
flat angles P-C4'-P energy: -19.422
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -395.978804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.978804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.978804 (E_RNA)
where:
Base-Base interactions energy: -228.429
where: short stacking energy: -109.551
Base-Backbone interact. energy: -0.402
local terms energy: -167.148065
where:
bonds (distance) C4'-P energy: -34.712
bonds (distance) P-C4' energy: -45.122
flat angles C4'-P-C4' energy: -36.542
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: -26.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -210.412837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.412837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.412837 (E_RNA)
where:
Base-Base interactions energy: -85.285
where: short stacking energy: -63.970
Base-Backbone interact. energy: 5.699
local terms energy: -130.826223
where:
bonds (distance) C4'-P energy: -42.144
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -31.213
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: 4.670
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: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -195.211393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.211393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.211393 (E_RNA)
where:
Base-Base interactions energy: -58.888
where: short stacking energy: -45.711
Base-Backbone interact. energy: -0.409
local terms energy: -135.914348
where:
bonds (distance) C4'-P energy: -39.440
bonds (distance) P-C4' energy: -33.931
flat angles C4'-P-C4' energy: -33.179
flat angles P-C4'-P energy: -21.351
tors. eta vs tors. theta energy: -8.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -182.052592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.052592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.052592 (E_RNA)
where:
Base-Base interactions energy: -63.638
where: short stacking energy: -49.391
Base-Backbone interact. energy: 0.603
local terms energy: -119.018346
where:
bonds (distance) C4'-P energy: -40.802
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -28.211
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -665.081572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.081572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.081572 (E_RNA)
where:
Base-Base interactions energy: -428.580
where: short stacking energy: -207.287
Base-Backbone interact. energy: -0.255
local terms energy: -236.247282
where:
bonds (distance) C4'-P energy: -47.326
bonds (distance) P-C4' energy: -46.086
flat angles C4'-P-C4' energy: -47.546
flat angles P-C4'-P energy: -31.287
tors. eta vs tors. theta energy: -64.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -658.601347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.601347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.601347 (E_RNA)
where:
Base-Base interactions energy: -425.991
where: short stacking energy: -207.702
Base-Backbone interact. energy: -0.265
local terms energy: -232.345628
where:
bonds (distance) C4'-P energy: -43.222
bonds (distance) P-C4' energy: -43.563
flat angles C4'-P-C4' energy: -48.661
flat angles P-C4'-P energy: -34.241
tors. eta vs tors. theta energy: -62.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -580.919776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.919776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.919776 (E_RNA)
where:
Base-Base interactions energy: -377.219
where: short stacking energy: -155.262
Base-Backbone interact. energy: -3.104
local terms energy: -200.597237
where:
bonds (distance) C4'-P energy: -43.031
bonds (distance) P-C4' energy: -43.590
flat angles C4'-P-C4' energy: -45.947
flat angles P-C4'-P energy: -27.170
tors. eta vs tors. theta energy: -40.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -481.293455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.293455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.293455 (E_RNA)
where:
Base-Base interactions energy: -307.173
where: short stacking energy: -142.143
Base-Backbone interact. energy: -1.085
local terms energy: -173.035698
where:
bonds (distance) C4'-P energy: -35.771
bonds (distance) P-C4' energy: -36.050
flat angles C4'-P-C4' energy: -43.426
flat angles P-C4'-P energy: -28.502
tors. eta vs tors. theta energy: -29.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -461.099542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.099542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.099542 (E_RNA)
where:
Base-Base interactions energy: -292.669
where: short stacking energy: -135.882
Base-Backbone interact. energy: -1.161
local terms energy: -167.269107
where:
bonds (distance) C4'-P energy: -36.108
bonds (distance) P-C4' energy: -36.664
flat angles C4'-P-C4' energy: -40.460
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: -29.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -391.669664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.669664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.669664 (E_RNA)
where:
Base-Base interactions energy: -219.007
where: short stacking energy: -104.109
Base-Backbone interact. energy: -1.070
local terms energy: -171.592341
where:
bonds (distance) C4'-P energy: -40.722
bonds (distance) P-C4' energy: -43.365
flat angles C4'-P-C4' energy: -37.580
flat angles P-C4'-P energy: -23.410
tors. eta vs tors. theta energy: -26.515
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: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -303.126344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.126344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.126344 (E_RNA)
where:
Base-Base interactions energy: -168.830
where: short stacking energy: -90.221
Base-Backbone interact. energy: -1.178
local terms energy: -133.118126
where:
bonds (distance) C4'-P energy: -35.113
bonds (distance) P-C4' energy: -28.420
flat angles C4'-P-C4' energy: -33.579
flat angles P-C4'-P energy: -21.549
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -242.540898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.540898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.540898 (E_RNA)
where:
Base-Base interactions energy: -107.915
where: short stacking energy: -89.342
Base-Backbone interact. energy: 0.944
local terms energy: -135.570138
where:
bonds (distance) C4'-P energy: -32.046
bonds (distance) P-C4' energy: -42.453
flat angles C4'-P-C4' energy: -36.826
flat angles P-C4'-P energy: -12.603
tors. eta vs tors. theta energy: -11.642
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: 267
Temperature: 1.300000
Total energy: -194.630923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.630923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.630923 (E_RNA)
where:
Base-Base interactions energy: -58.189
where: short stacking energy: -56.284
Base-Backbone interact. energy: -0.919
local terms energy: -135.522532
where:
bonds (distance) C4'-P energy: -42.116
bonds (distance) P-C4' energy: -40.328
flat angles C4'-P-C4' energy: -28.895
flat angles P-C4'-P energy: -29.202
tors. eta vs tors. theta energy: 5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -180.036104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.036104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.036104 (E_RNA)
where:
Base-Base interactions energy: -65.731
where: short stacking energy: -50.517
Base-Backbone interact. energy: -0.780
local terms energy: -113.525139
where:
bonds (distance) C4'-P energy: -29.022
bonds (distance) P-C4' energy: -37.915
flat angles C4'-P-C4' energy: -37.735
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: 0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -664.600087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.600087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.600087 (E_RNA)
where:
Base-Base interactions energy: -428.675
where: short stacking energy: -207.367
Base-Backbone interact. energy: -0.661
local terms energy: -235.264166
where:
bonds (distance) C4'-P energy: -46.827
bonds (distance) P-C4' energy: -45.153
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -31.120
tors. eta vs tors. theta energy: -63.392
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: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -637.115901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.115901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.115901 (E_RNA)
where:
Base-Base interactions energy: -421.819
where: short stacking energy: -198.865
Base-Backbone interact. energy: -0.238
local terms energy: -215.058558
where:
bonds (distance) C4'-P energy: -40.366
bonds (distance) P-C4' energy: -40.183
flat angles C4'-P-C4' energy: -46.540
flat angles P-C4'-P energy: -31.279
tors. eta vs tors. theta energy: -56.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -574.681743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.681743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.681743 (E_RNA)
where:
Base-Base interactions energy: -374.801
where: short stacking energy: -164.393
Base-Backbone interact. energy: 0.346
local terms energy: -200.225811
where:
bonds (distance) C4'-P energy: -42.278
bonds (distance) P-C4' energy: -44.359
flat angles C4'-P-C4' energy: -41.772
flat angles P-C4'-P energy: -33.971
tors. eta vs tors. theta energy: -37.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -530.496202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.496202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.496202 (E_RNA)
where:
Base-Base interactions energy: -331.349
where: short stacking energy: -151.446
Base-Backbone interact. energy: -1.017
local terms energy: -198.130117
where:
bonds (distance) C4'-P energy: -37.978
bonds (distance) P-C4' energy: -47.441
flat angles C4'-P-C4' energy: -44.123
flat angles P-C4'-P energy: -26.088
tors. eta vs tors. theta energy: -42.500
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: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -485.979057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.979057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.979057 (E_RNA)
where:
Base-Base interactions energy: -308.095
where: short stacking energy: -128.956
Base-Backbone interact. energy: 0.413
local terms energy: -178.297376
where:
bonds (distance) C4'-P energy: -45.791
bonds (distance) P-C4' energy: -43.903
flat angles C4'-P-C4' energy: -40.538
flat angles P-C4'-P energy: -22.940
tors. eta vs tors. theta energy: -25.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -363.567424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.567424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.567424 (E_RNA)
where:
Base-Base interactions energy: -206.043
where: short stacking energy: -107.049
Base-Backbone interact. energy: -1.245
local terms energy: -156.279253
where:
bonds (distance) C4'-P energy: -46.174
bonds (distance) P-C4' energy: -39.641
flat angles C4'-P-C4' energy: -35.566
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -307.298574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.298574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.298574 (E_RNA)
where:
Base-Base interactions energy: -165.927
where: short stacking energy: -94.070
Base-Backbone interact. energy: 0.476
local terms energy: -141.847773
where:
bonds (distance) C4'-P energy: -33.526
bonds (distance) P-C4' energy: -42.371
flat angles C4'-P-C4' energy: -26.378
flat angles P-C4'-P energy: -21.361
tors. eta vs tors. theta energy: -18.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -215.871932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871932 (E_RNA)
where:
Base-Base interactions energy: -84.299
where: short stacking energy: -78.312
Base-Backbone interact. energy: -0.012
local terms energy: -131.560744
where:
bonds (distance) C4'-P energy: -27.693
bonds (distance) P-C4' energy: -41.488
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -201.430503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.430503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.430503 (E_RNA)
where:
Base-Base interactions energy: -70.087
where: short stacking energy: -68.136
Base-Backbone interact. energy: -0.463
local terms energy: -130.880076
where:
bonds (distance) C4'-P energy: -36.703
bonds (distance) P-C4' energy: -40.047
flat angles C4'-P-C4' energy: -25.272
flat angles P-C4'-P energy: -17.152
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -174.193879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.193879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.193879 (E_RNA)
where:
Base-Base interactions energy: -64.879
where: short stacking energy: -56.567
Base-Backbone interact. energy: -0.899
local terms energy: -108.415748
where:
bonds (distance) C4'-P energy: -30.608
bonds (distance) P-C4' energy: -36.666
flat angles C4'-P-C4' energy: -24.345
flat angles P-C4'-P energy: -17.601
tors. eta vs tors. theta energy: 0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -665.321658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.321658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.321658 (E_RNA)
where:
Base-Base interactions energy: -435.986
where: short stacking energy: -209.328
Base-Backbone interact. energy: -0.529
local terms energy: -228.807170
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -45.265
flat angles C4'-P-C4' energy: -45.387
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -57.433
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: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -644.233600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.233600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.233600 (E_RNA)
where:
Base-Base interactions energy: -416.502
where: short stacking energy: -206.153
Base-Backbone interact. energy: -0.311
local terms energy: -227.420740
where:
bonds (distance) C4'-P energy: -43.391
bonds (distance) P-C4' energy: -45.108
flat angles C4'-P-C4' energy: -48.690
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: -59.171
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: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -559.108087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.108087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.108087 (E_RNA)
where:
Base-Base interactions energy: -367.146
where: short stacking energy: -157.033
Base-Backbone interact. energy: -0.006
local terms energy: -191.956056
where:
bonds (distance) C4'-P energy: -42.503
bonds (distance) P-C4' energy: -37.837
flat angles C4'-P-C4' energy: -43.139
flat angles P-C4'-P energy: -34.661
tors. eta vs tors. theta energy: -33.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -524.709838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.709838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.709838 (E_RNA)
where:
Base-Base interactions energy: -326.893
where: short stacking energy: -157.440
Base-Backbone interact. energy: -0.473
local terms energy: -197.343490
where:
bonds (distance) C4'-P energy: -42.247
bonds (distance) P-C4' energy: -39.371
flat angles C4'-P-C4' energy: -42.507
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -49.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -453.405076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.405076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.405076 (E_RNA)
where:
Base-Base interactions energy: -276.993
where: short stacking energy: -125.159
Base-Backbone interact. energy: 1.230
local terms energy: -177.642480
where:
bonds (distance) C4'-P energy: -42.901
bonds (distance) P-C4' energy: -44.603
flat angles C4'-P-C4' energy: -35.115
flat angles P-C4'-P energy: -21.983
tors. eta vs tors. theta energy: -33.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -354.704196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.704196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.704196 (E_RNA)
where:
Base-Base interactions energy: -191.078
where: short stacking energy: -97.288
Base-Backbone interact. energy: -0.623
local terms energy: -163.003401
where:
bonds (distance) C4'-P energy: -37.839
bonds (distance) P-C4' energy: -41.741
flat angles C4'-P-C4' energy: -44.150
flat angles P-C4'-P energy: -26.595
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -296.040567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.040567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.040567 (E_RNA)
where:
Base-Base interactions energy: -144.514
where: short stacking energy: -98.731
Base-Backbone interact. energy: 1.016
local terms energy: -152.542721
where:
bonds (distance) C4'-P energy: -37.900
bonds (distance) P-C4' energy: -45.545
flat angles C4'-P-C4' energy: -34.767
flat angles P-C4'-P energy: -26.499
tors. eta vs tors. theta energy: -7.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -243.974312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.974312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.974312 (E_RNA)
where:
Base-Base interactions energy: -106.400
where: short stacking energy: -67.379
Base-Backbone interact. energy: -0.732
local terms energy: -136.842288
where:
bonds (distance) C4'-P energy: -33.897
bonds (distance) P-C4' energy: -33.327
flat angles C4'-P-C4' energy: -39.379
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -5.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -207.585701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.585701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.585701 (E_RNA)
where:
Base-Base interactions energy: -96.942
where: short stacking energy: -63.074
Base-Backbone interact. energy: -1.965
local terms energy: -108.679136
where:
bonds (distance) C4'-P energy: -37.041
bonds (distance) P-C4' energy: -38.207
flat angles C4'-P-C4' energy: -34.820
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: 8.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -179.857627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.857627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.857627 (E_RNA)
where:
Base-Base interactions energy: -66.422
where: short stacking energy: -41.947
Base-Backbone interact. energy: 1.321
local terms energy: -114.756388
where:
bonds (distance) C4'-P energy: -40.308
bonds (distance) P-C4' energy: -35.021
flat angles C4'-P-C4' energy: -29.990
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: 8.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -650.204804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.204804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.204804 (E_RNA)
where:
Base-Base interactions energy: -433.076
where: short stacking energy: -198.254
Base-Backbone interact. energy: -0.521
local terms energy: -216.607986
where:
bonds (distance) C4'-P energy: -41.791
bonds (distance) P-C4' energy: -36.643
flat angles C4'-P-C4' energy: -47.754
flat angles P-C4'-P energy: -35.761
tors. eta vs tors. theta energy: -54.660
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: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -623.005263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.005263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.005263 (E_RNA)
where:
Base-Base interactions energy: -401.563
where: short stacking energy: -201.438
Base-Backbone interact. energy: -0.127
local terms energy: -221.315220
where:
bonds (distance) C4'-P energy: -42.373
bonds (distance) P-C4' energy: -45.003
flat angles C4'-P-C4' energy: -43.712
flat angles P-C4'-P energy: -33.395
tors. eta vs tors. theta energy: -56.832
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: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -558.124243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.124243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.124243 (E_RNA)
where:
Base-Base interactions energy: -382.812
where: short stacking energy: -169.443
Base-Backbone interact. energy: 0.168
local terms energy: -175.479849
where:
bonds (distance) C4'-P energy: -28.734
bonds (distance) P-C4' energy: -42.744
flat angles C4'-P-C4' energy: -36.795
flat angles P-C4'-P energy: -30.913
tors. eta vs tors. theta energy: -36.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -530.424555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.424555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.424555 (E_RNA)
where:
Base-Base interactions energy: -342.806
where: short stacking energy: -152.149
Base-Backbone interact. energy: -0.883
local terms energy: -186.735472
where:
bonds (distance) C4'-P energy: -46.215
bonds (distance) P-C4' energy: -42.609
flat angles C4'-P-C4' energy: -38.993
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -36.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -472.398179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.398179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.398179 (E_RNA)
where:
Base-Base interactions energy: -305.705
where: short stacking energy: -139.968
Base-Backbone interact. energy: -0.523
local terms energy: -166.170582
where:
bonds (distance) C4'-P energy: -34.801
bonds (distance) P-C4' energy: -33.885
flat angles C4'-P-C4' energy: -40.244
flat angles P-C4'-P energy: -26.083
tors. eta vs tors. theta energy: -31.157
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: 270
Temperature: 1.150000
Total energy: -353.261775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.261775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.261775 (E_RNA)
where:
Base-Base interactions energy: -190.379
where: short stacking energy: -82.774
Base-Backbone interact. energy: 0.069
local terms energy: -162.952237
where:
bonds (distance) C4'-P energy: -42.050
bonds (distance) P-C4' energy: -41.094
flat angles C4'-P-C4' energy: -38.266
flat angles P-C4'-P energy: -29.005
tors. eta vs tors. theta energy: -12.538
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: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -296.960304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.960304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.960304 (E_RNA)
where:
Base-Base interactions energy: -138.697
where: short stacking energy: -81.775
Base-Backbone interact. energy: 1.270
local terms energy: -159.534159
where:
bonds (distance) C4'-P energy: -44.069
bonds (distance) P-C4' energy: -39.221
flat angles C4'-P-C4' energy: -43.396
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -270.556528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.556528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.556528 (E_RNA)
where:
Base-Base interactions energy: -135.025
where: short stacking energy: -78.757
Base-Backbone interact. energy: 0.241
local terms energy: -135.773047
where:
bonds (distance) C4'-P energy: -33.374
bonds (distance) P-C4' energy: -34.595
flat angles C4'-P-C4' energy: -41.197
flat angles P-C4'-P energy: -18.223
tors. eta vs tors. theta energy: -8.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -189.237289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.237289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.237289 (E_RNA)
where:
Base-Base interactions energy: -80.331
where: short stacking energy: -80.866
Base-Backbone interact. energy: -0.075
local terms energy: -108.831815
where:
bonds (distance) C4'-P energy: -34.867
bonds (distance) P-C4' energy: -31.508
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -180.317486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.317486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.317486 (E_RNA)
where:
Base-Base interactions energy: -58.832
where: short stacking energy: -41.358
Base-Backbone interact. energy: -1.108
local terms energy: -120.377714
where:
bonds (distance) C4'-P energy: -45.090
bonds (distance) P-C4' energy: -39.404
flat angles C4'-P-C4' energy: -33.111
flat angles P-C4'-P energy: -10.274
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: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -653.962645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.962645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.962645 (E_RNA)
where:
Base-Base interactions energy: -422.752
where: short stacking energy: -191.487
Base-Backbone interact. energy: -1.218
local terms energy: -229.992353
where:
bonds (distance) C4'-P energy: -42.212
bonds (distance) P-C4' energy: -52.181
flat angles C4'-P-C4' energy: -49.427
flat angles P-C4'-P energy: -31.831
tors. eta vs tors. theta energy: -54.342
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: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -622.238568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.238568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.238568 (E_RNA)
where:
Base-Base interactions energy: -400.402
where: short stacking energy: -202.095
Base-Backbone interact. energy: -0.545
local terms energy: -221.291567
where:
bonds (distance) C4'-P energy: -43.540
bonds (distance) P-C4' energy: -38.566
flat angles C4'-P-C4' energy: -45.461
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -60.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -570.002147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.002147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.002147 (E_RNA)
where:
Base-Base interactions energy: -367.946
where: short stacking energy: -154.755
Base-Backbone interact. energy: 0.417
local terms energy: -202.473279
where:
bonds (distance) C4'-P energy: -44.375
bonds (distance) P-C4' energy: -43.693
flat angles C4'-P-C4' energy: -47.983
flat angles P-C4'-P energy: -25.259
tors. eta vs tors. theta energy: -41.163
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: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -515.074539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.074539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.074539 (E_RNA)
where:
Base-Base interactions energy: -328.384
where: short stacking energy: -137.013
Base-Backbone interact. energy: -0.023
local terms energy: -186.667626
where:
bonds (distance) C4'-P energy: -46.215
bonds (distance) P-C4' energy: -37.616
flat angles C4'-P-C4' energy: -40.562
flat angles P-C4'-P energy: -27.057
tors. eta vs tors. theta energy: -35.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -482.621506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.621506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.621506 (E_RNA)
where:
Base-Base interactions energy: -302.152
where: short stacking energy: -146.863
Base-Backbone interact. energy: -0.320
local terms energy: -180.149511
where:
bonds (distance) C4'-P energy: -32.424
bonds (distance) P-C4' energy: -40.909
flat angles C4'-P-C4' energy: -42.947
flat angles P-C4'-P energy: -27.270
tors. eta vs tors. theta energy: -36.599
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: 271
Temperature: 1.150000
Total energy: -395.796404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.796404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.796404 (E_RNA)
where:
Base-Base interactions energy: -241.520
where: short stacking energy: -132.504
Base-Backbone interact. energy: 1.158
local terms energy: -155.434331
where:
bonds (distance) C4'-P energy: -37.855
bonds (distance) P-C4' energy: -30.120
flat angles C4'-P-C4' energy: -38.191
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -29.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -303.990702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.990702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.990702 (E_RNA)
where:
Base-Base interactions energy: -149.585
where: short stacking energy: -93.108
Base-Backbone interact. energy: -0.084
local terms energy: -154.321396
where:
bonds (distance) C4'-P energy: -40.567
bonds (distance) P-C4' energy: -33.381
flat angles C4'-P-C4' energy: -39.915
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -260.763528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.763528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.763528 (E_RNA)
where:
Base-Base interactions energy: -123.550
where: short stacking energy: -67.922
Base-Backbone interact. energy: -0.375
local terms energy: -136.838015
where:
bonds (distance) C4'-P energy: -36.178
bonds (distance) P-C4' energy: -37.794
flat angles C4'-P-C4' energy: -34.868
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -8.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -208.280381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.280381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.280381 (E_RNA)
where:
Base-Base interactions energy: -79.623
where: short stacking energy: -62.929
Base-Backbone interact. energy: -1.201
local terms energy: -127.456393
where:
bonds (distance) C4'-P energy: -34.182
bonds (distance) P-C4' energy: -30.435
flat angles C4'-P-C4' energy: -36.532
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -4.407
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: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -176.353888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.353888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.353888 (E_RNA)
where:
Base-Base interactions energy: -53.314
where: short stacking energy: -43.958
Base-Backbone interact. energy: -0.104
local terms energy: -122.936565
where:
bonds (distance) C4'-P energy: -38.650
bonds (distance) P-C4' energy: -35.392
flat angles C4'-P-C4' energy: -32.883
flat angles P-C4'-P energy: -25.448
tors. eta vs tors. theta energy: 9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -659.888390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.888390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.888390 (E_RNA)
where:
Base-Base interactions energy: -439.976
where: short stacking energy: -212.251
Base-Backbone interact. energy: -0.310
local terms energy: -219.602953
where:
bonds (distance) C4'-P energy: -38.497
bonds (distance) P-C4' energy: -42.940
flat angles C4'-P-C4' energy: -44.661
flat angles P-C4'-P energy: -31.648
tors. eta vs tors. theta energy: -61.857
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: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -622.998641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.998641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.998641 (E_RNA)
where:
Base-Base interactions energy: -401.399
where: short stacking energy: -192.309
Base-Backbone interact. energy: -0.139
local terms energy: -221.460518
where:
bonds (distance) C4'-P energy: -43.736
bonds (distance) P-C4' energy: -47.990
flat angles C4'-P-C4' energy: -44.360
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -57.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -567.896824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.896824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.896824 (E_RNA)
where:
Base-Base interactions energy: -360.399
where: short stacking energy: -158.257
Base-Backbone interact. energy: 0.006
local terms energy: -207.504727
where:
bonds (distance) C4'-P energy: -47.636
bonds (distance) P-C4' energy: -44.201
flat angles C4'-P-C4' energy: -38.807
flat angles P-C4'-P energy: -35.409
tors. eta vs tors. theta energy: -41.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -521.992779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.992779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.992779 (E_RNA)
where:
Base-Base interactions energy: -332.539
where: short stacking energy: -156.607
Base-Backbone interact. energy: -0.908
local terms energy: -188.545959
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -41.542
flat angles C4'-P-C4' energy: -45.019
flat angles P-C4'-P energy: -30.507
tors. eta vs tors. theta energy: -39.957
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: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -429.619289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.619289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.619289 (E_RNA)
where:
Base-Base interactions energy: -254.258
where: short stacking energy: -121.714
Base-Backbone interact. energy: 0.023
local terms energy: -175.383875
where:
bonds (distance) C4'-P energy: -33.271
bonds (distance) P-C4' energy: -44.387
flat angles C4'-P-C4' energy: -38.378
flat angles P-C4'-P energy: -29.975
tors. eta vs tors. theta energy: -29.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -452.798165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.798165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.798165 (E_RNA)
where:
Base-Base interactions energy: -287.527
where: short stacking energy: -139.216
Base-Backbone interact. energy: -0.965
local terms energy: -164.305591
where:
bonds (distance) C4'-P energy: -40.700
bonds (distance) P-C4' energy: -39.212
flat angles C4'-P-C4' energy: -35.559
flat angles P-C4'-P energy: -17.967
tors. eta vs tors. theta energy: -30.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -262.729286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.729286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.729286 (E_RNA)
where:
Base-Base interactions energy: -120.033
where: short stacking energy: -69.046
Base-Backbone interact. energy: 0.650
local terms energy: -143.346467
where:
bonds (distance) C4'-P energy: -45.043
bonds (distance) P-C4' energy: -41.480
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -22.731
tors. eta vs tors. theta energy: -5.178
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: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -286.810338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.810338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.810338 (E_RNA)
where:
Base-Base interactions energy: -130.641
where: short stacking energy: -74.590
Base-Backbone interact. energy: -0.123
local terms energy: -156.047128
where:
bonds (distance) C4'-P energy: -45.686
bonds (distance) P-C4' energy: -46.724
flat angles C4'-P-C4' energy: -34.593
flat angles P-C4'-P energy: -24.326
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -195.558551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.558551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.558551 (E_RNA)
where:
Base-Base interactions energy: -57.043
where: short stacking energy: -55.735
Base-Backbone interact. energy: 1.444
local terms energy: -139.959355
where:
bonds (distance) C4'-P energy: -36.252
bonds (distance) P-C4' energy: -33.871
flat angles C4'-P-C4' energy: -41.643
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -5.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -183.907925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.907925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.907925 (E_RNA)
where:
Base-Base interactions energy: -62.229
where: short stacking energy: -50.562
Base-Backbone interact. energy: -0.870
local terms energy: -120.809122
where:
bonds (distance) C4'-P energy: -34.296
bonds (distance) P-C4' energy: -38.517
flat angles C4'-P-C4' energy: -35.963
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: 10.673
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: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -659.262210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.262210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.262210 (E_RNA)
where:
Base-Base interactions energy: -431.998
where: short stacking energy: -213.777
Base-Backbone interact. energy: -0.865
local terms energy: -226.399613
where:
bonds (distance) C4'-P energy: -45.807
bonds (distance) P-C4' energy: -42.245
flat angles C4'-P-C4' energy: -46.553
flat angles P-C4'-P energy: -28.182
tors. eta vs tors. theta energy: -63.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -624.555788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.555788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.555788 (E_RNA)
where:
Base-Base interactions energy: -386.194
where: short stacking energy: -183.478
Base-Backbone interact. energy: -0.577
local terms energy: -237.784398
where:
bonds (distance) C4'-P energy: -45.330
bonds (distance) P-C4' energy: -45.348
flat angles C4'-P-C4' energy: -50.024
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -63.558
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: 273
Temperature: 1.000000
Total energy: -589.795242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.795242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.795242 (E_RNA)
where:
Base-Base interactions energy: -391.797
where: short stacking energy: -174.104
Base-Backbone interact. energy: 1.572
local terms energy: -199.570300
where:
bonds (distance) C4'-P energy: -39.458
bonds (distance) P-C4' energy: -40.095
flat angles C4'-P-C4' energy: -47.813
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: -40.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -550.677458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.677458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.677458 (E_RNA)
where:
Base-Base interactions energy: -359.205
where: short stacking energy: -172.491
Base-Backbone interact. energy: -0.792
local terms energy: -190.679886
where:
bonds (distance) C4'-P energy: -42.060
bonds (distance) P-C4' energy: -34.277
flat angles C4'-P-C4' energy: -40.818
flat angles P-C4'-P energy: -28.819
tors. eta vs tors. theta energy: -44.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -383.892145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.892145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.892145 (E_RNA)
where:
Base-Base interactions energy: -215.727
where: short stacking energy: -125.181
Base-Backbone interact. energy: 0.018
local terms energy: -168.182921
where:
bonds (distance) C4'-P energy: -39.612
bonds (distance) P-C4' energy: -41.953
flat angles C4'-P-C4' energy: -36.924
flat angles P-C4'-P energy: -22.057
tors. eta vs tors. theta energy: -27.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -442.454655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.454655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.454655 (E_RNA)
where:
Base-Base interactions energy: -283.096
where: short stacking energy: -131.502
Base-Backbone interact. energy: 2.369
local terms energy: -161.727559
where:
bonds (distance) C4'-P energy: -33.830
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -37.516
flat angles P-C4'-P energy: -20.260
tors. eta vs tors. theta energy: -27.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -303.162979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.162979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.162979 (E_RNA)
where:
Base-Base interactions energy: -158.460
where: short stacking energy: -95.046
Base-Backbone interact. energy: -0.200
local terms energy: -144.503369
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -37.171
flat angles C4'-P-C4' energy: -34.854
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -270.806585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.806585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.806585 (E_RNA)
where:
Base-Base interactions energy: -140.379
where: short stacking energy: -66.833
Base-Backbone interact. energy: 0.980
local terms energy: -131.407356
where:
bonds (distance) C4'-P energy: -41.357
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -33.768
flat angles P-C4'-P energy: -26.571
tors. eta vs tors. theta energy: -3.037
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: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -181.196583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.196583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.196583 (E_RNA)
where:
Base-Base interactions energy: -50.583
where: short stacking energy: -41.086
Base-Backbone interact. energy: 0.856
local terms energy: -131.468959
where:
bonds (distance) C4'-P energy: -34.049
bonds (distance) P-C4' energy: -43.850
flat angles C4'-P-C4' energy: -35.697
flat angles P-C4'-P energy: -20.114
tors. eta vs tors. theta energy: 2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -172.064416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.064416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.064416 (E_RNA)
where:
Base-Base interactions energy: -59.586
where: short stacking energy: -51.922
Base-Backbone interact. energy: -0.558
local terms energy: -111.920921
where:
bonds (distance) C4'-P energy: -34.966
bonds (distance) P-C4' energy: -40.352
flat angles C4'-P-C4' energy: -30.363
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: 6.482
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: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -659.519614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.519614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.519614 (E_RNA)
where:
Base-Base interactions energy: -426.566
where: short stacking energy: -213.136
Base-Backbone interact. energy: -0.666
local terms energy: -232.288272
where:
bonds (distance) C4'-P energy: -43.973
bonds (distance) P-C4' energy: -46.488
flat angles C4'-P-C4' energy: -48.280
flat angles P-C4'-P energy: -36.149
tors. eta vs tors. theta energy: -57.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -636.641362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.641362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.641362 (E_RNA)
where:
Base-Base interactions energy: -424.135
where: short stacking energy: -199.993
Base-Backbone interact. energy: 0.277
local terms energy: -212.782957
where:
bonds (distance) C4'-P energy: -39.557
bonds (distance) P-C4' energy: -42.910
flat angles C4'-P-C4' energy: -46.229
flat angles P-C4'-P energy: -27.902
tors. eta vs tors. theta energy: -56.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -574.247560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.247560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.247560 (E_RNA)
where:
Base-Base interactions energy: -374.156
where: short stacking energy: -159.820
Base-Backbone interact. energy: 0.796
local terms energy: -200.888191
where:
bonds (distance) C4'-P energy: -41.816
bonds (distance) P-C4' energy: -40.661
flat angles C4'-P-C4' energy: -44.949
flat angles P-C4'-P energy: -33.512
tors. eta vs tors. theta energy: -39.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -548.733131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.733131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.733131 (E_RNA)
where:
Base-Base interactions energy: -345.235
where: short stacking energy: -154.135
Base-Backbone interact. energy: -1.047
local terms energy: -202.451076
where:
bonds (distance) C4'-P energy: -40.592
bonds (distance) P-C4' energy: -45.483
flat angles C4'-P-C4' energy: -37.875
flat angles P-C4'-P energy: -34.161
tors. eta vs tors. theta energy: -44.340
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: 7
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -469.870556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.870556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.870556 (E_RNA)
where:
Base-Base interactions energy: -289.802
where: short stacking energy: -123.457
Base-Backbone interact. energy: -0.214
local terms energy: -179.854521
where:
bonds (distance) C4'-P energy: -43.911
bonds (distance) P-C4' energy: -35.584
flat angles C4'-P-C4' energy: -42.886
flat angles P-C4'-P energy: -28.072
tors. eta vs tors. theta energy: -29.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -391.750202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.750202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.750202 (E_RNA)
where:
Base-Base interactions energy: -216.500
where: short stacking energy: -113.784
Base-Backbone interact. energy: -0.800
local terms energy: -174.450122
where:
bonds (distance) C4'-P energy: -34.489
bonds (distance) P-C4' energy: -38.636
flat angles C4'-P-C4' energy: -42.483
flat angles P-C4'-P energy: -30.996
tors. eta vs tors. theta energy: -27.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -323.668552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.668552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.668552 (E_RNA)
where:
Base-Base interactions energy: -189.288
where: short stacking energy: -82.669
Base-Backbone interact. energy: 1.147
local terms energy: -135.527659
where:
bonds (distance) C4'-P energy: -38.363
bonds (distance) P-C4' energy: -37.361
flat angles C4'-P-C4' energy: -35.332
flat angles P-C4'-P energy: -20.284
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -271.703545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.703545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.703545 (E_RNA)
where:
Base-Base interactions energy: -128.650
where: short stacking energy: -75.037
Base-Backbone interact. energy: -0.901
local terms energy: -142.152516
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -44.152
flat angles C4'-P-C4' energy: -30.301
flat angles P-C4'-P energy: -26.541
tors. eta vs tors. theta energy: -13.228
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: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -186.668123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.668123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.668123 (E_RNA)
where:
Base-Base interactions energy: -53.951
where: short stacking energy: -47.963
Base-Backbone interact. energy: -0.370
local terms energy: -132.347751
where:
bonds (distance) C4'-P energy: -32.166
bonds (distance) P-C4' energy: -37.645
flat angles C4'-P-C4' energy: -40.720
flat angles P-C4'-P energy: -22.353
tors. eta vs tors. theta energy: 0.537
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: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -186.051524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.051524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.051524 (E_RNA)
where:
Base-Base interactions energy: -62.568
where: short stacking energy: -55.999
Base-Backbone interact. energy: -0.432
local terms energy: -123.050928
where:
bonds (distance) C4'-P energy: -30.445
bonds (distance) P-C4' energy: -42.215
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -6.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -659.561959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.561959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.561959 (E_RNA)
where:
Base-Base interactions energy: -412.698
where: short stacking energy: -209.034
Base-Backbone interact. energy: -1.593
local terms energy: -245.271412
where:
bonds (distance) C4'-P energy: -46.365
bonds (distance) P-C4' energy: -48.277
flat angles C4'-P-C4' energy: -52.249
flat angles P-C4'-P energy: -37.892
tors. eta vs tors. theta energy: -60.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -633.946826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.946826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.946826 (E_RNA)
where:
Base-Base interactions energy: -415.495
where: short stacking energy: -204.317
Base-Backbone interact. energy: -0.360
local terms energy: -218.091534
where:
bonds (distance) C4'-P energy: -38.816
bonds (distance) P-C4' energy: -50.381
flat angles C4'-P-C4' energy: -42.840
flat angles P-C4'-P energy: -27.354
tors. eta vs tors. theta energy: -58.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -578.909080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.909080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.909080 (E_RNA)
where:
Base-Base interactions energy: -374.321
where: short stacking energy: -173.678
Base-Backbone interact. energy: -0.242
local terms energy: -204.346044
where:
bonds (distance) C4'-P energy: -41.343
bonds (distance) P-C4' energy: -41.205
flat angles C4'-P-C4' energy: -47.291
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -51.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -569.997472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.997472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.997472 (E_RNA)
where:
Base-Base interactions energy: -382.530
where: short stacking energy: -158.711
Base-Backbone interact. energy: -0.397
local terms energy: -187.070358
where:
bonds (distance) C4'-P energy: -42.023
bonds (distance) P-C4' energy: -42.832
flat angles C4'-P-C4' energy: -42.522
flat angles P-C4'-P energy: -22.138
tors. eta vs tors. theta energy: -37.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -480.771000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.771000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.771000 (E_RNA)
where:
Base-Base interactions energy: -301.482
where: short stacking energy: -155.496
Base-Backbone interact. energy: -1.552
local terms energy: -177.736808
where:
bonds (distance) C4'-P energy: -33.089
bonds (distance) P-C4' energy: -38.623
flat angles C4'-P-C4' energy: -35.131
flat angles P-C4'-P energy: -28.292
tors. eta vs tors. theta energy: -42.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -341.945131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.945131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.945131 (E_RNA)
where:
Base-Base interactions energy: -188.561
where: short stacking energy: -98.214
Base-Backbone interact. energy: 0.418
local terms energy: -153.801688
where:
bonds (distance) C4'-P energy: -42.119
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -30.441
flat angles P-C4'-P energy: -30.020
tors. eta vs tors. theta energy: -8.144
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: 275
Temperature: 1.200000
Total energy: -360.082774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.082774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.082774 (E_RNA)
where:
Base-Base interactions energy: -203.525
where: short stacking energy: -109.190
Base-Backbone interact. energy: -0.767
local terms energy: -155.791078
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -42.290
flat angles C4'-P-C4' energy: -39.453
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -243.318723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.318723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.318723 (E_RNA)
where:
Base-Base interactions energy: -93.100
where: short stacking energy: -79.282
Base-Backbone interact. energy: -0.420
local terms energy: -149.798551
where:
bonds (distance) C4'-P energy: -36.561
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -46.147
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -248.383903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.383903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.383903 (E_RNA)
where:
Base-Base interactions energy: -118.723
where: short stacking energy: -72.774
Base-Backbone interact. energy: 0.474
local terms energy: -130.134983
where:
bonds (distance) C4'-P energy: -35.918
bonds (distance) P-C4' energy: -34.021
flat angles C4'-P-C4' energy: -30.267
flat angles P-C4'-P energy: -21.481
tors. eta vs tors. theta energy: -8.448
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: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -192.153288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.153288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.153288 (E_RNA)
where:
Base-Base interactions energy: -68.797
where: short stacking energy: -60.517
Base-Backbone interact. energy: 0.755
local terms energy: -124.110803
where:
bonds (distance) C4'-P energy: -38.847
bonds (distance) P-C4' energy: -38.980
flat angles C4'-P-C4' energy: -32.041
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: 0.638
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: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -657.217307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.217307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.217307 (E_RNA)
where:
Base-Base interactions energy: -433.127
where: short stacking energy: -208.088
Base-Backbone interact. energy: -0.181
local terms energy: -223.909617
where:
bonds (distance) C4'-P energy: -37.633
bonds (distance) P-C4' energy: -44.150
flat angles C4'-P-C4' energy: -44.862
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: -60.786
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -628.111774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.111774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.111774 (E_RNA)
where:
Base-Base interactions energy: -413.203
where: short stacking energy: -210.828
Base-Backbone interact. energy: -0.479
local terms energy: -214.429418
where:
bonds (distance) C4'-P energy: -35.795
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -48.250
flat angles P-C4'-P energy: -35.535
tors. eta vs tors. theta energy: -55.467
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: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -580.667707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.667707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.667707 (E_RNA)
where:
Base-Base interactions energy: -377.817
where: short stacking energy: -184.095
Base-Backbone interact. energy: -0.699
local terms energy: -202.151711
where:
bonds (distance) C4'-P energy: -40.751
bonds (distance) P-C4' energy: -42.627
flat angles C4'-P-C4' energy: -40.440
flat angles P-C4'-P energy: -32.476
tors. eta vs tors. theta energy: -45.858
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: 276
Temperature: 1.050000
Total energy: -601.246458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.246458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.246458 (E_RNA)
where:
Base-Base interactions energy: -399.308
where: short stacking energy: -177.159
Base-Backbone interact. energy: 2.817
local terms energy: -204.755140
where:
bonds (distance) C4'-P energy: -41.471
bonds (distance) P-C4' energy: -38.714
flat angles C4'-P-C4' energy: -46.390
flat angles P-C4'-P energy: -28.951
tors. eta vs tors. theta energy: -49.228
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: 5, replica: 7
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -461.779544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.779544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.779544 (E_RNA)
where:
Base-Base interactions energy: -294.678
where: short stacking energy: -130.633
Base-Backbone interact. energy: -1.097
local terms energy: -166.003651
where:
bonds (distance) C4'-P energy: -39.029
bonds (distance) P-C4' energy: -38.683
flat angles C4'-P-C4' energy: -37.462
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -26.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -371.769370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.769370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.769370 (E_RNA)
where:
Base-Base interactions energy: -227.830
where: short stacking energy: -121.924
Base-Backbone interact. energy: -1.541
local terms energy: -142.398435
where:
bonds (distance) C4'-P energy: -33.341
bonds (distance) P-C4' energy: -33.798
flat angles C4'-P-C4' energy: -33.879
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -249.066664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.066664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.066664 (E_RNA)
where:
Base-Base interactions energy: -102.881
where: short stacking energy: -73.179
Base-Backbone interact. energy: -0.392
local terms energy: -145.793712
where:
bonds (distance) C4'-P energy: -40.668
bonds (distance) P-C4' energy: -43.195
flat angles C4'-P-C4' energy: -34.248
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -329.591690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.591690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.591690 (E_RNA)
where:
Base-Base interactions energy: -189.139
where: short stacking energy: -92.562
Base-Backbone interact. energy: -0.507
local terms energy: -139.945380
where:
bonds (distance) C4'-P energy: -39.486
bonds (distance) P-C4' energy: -35.202
flat angles C4'-P-C4' energy: -35.291
flat angles P-C4'-P energy: -22.103
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -232.588666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.588666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.588666 (E_RNA)
where:
Base-Base interactions energy: -91.821
where: short stacking energy: -62.368
Base-Backbone interact. energy: -0.536
local terms energy: -140.231211
where:
bonds (distance) C4'-P energy: -46.512
bonds (distance) P-C4' energy: -41.376
flat angles C4'-P-C4' energy: -31.845
flat angles P-C4'-P energy: -17.268
tors. eta vs tors. theta energy: -3.231
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: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -204.109375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.109375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.109375 (E_RNA)
where:
Base-Base interactions energy: -94.163
where: short stacking energy: -48.646
Base-Backbone interact. energy: -0.636
local terms energy: -109.310620
where:
bonds (distance) C4'-P energy: -36.490
bonds (distance) P-C4' energy: -39.515
flat angles C4'-P-C4' energy: -31.899
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: 8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -655.570434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.570434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.570434 (E_RNA)
where:
Base-Base interactions energy: -427.781
where: short stacking energy: -211.780
Base-Backbone interact. energy: -0.041
local terms energy: -227.748449
where:
bonds (distance) C4'-P energy: -42.929
bonds (distance) P-C4' energy: -46.041
flat angles C4'-P-C4' energy: -48.805
flat angles P-C4'-P energy: -28.016
tors. eta vs tors. theta energy: -61.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -617.237340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.237340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.237340 (E_RNA)
where:
Base-Base interactions energy: -398.356
where: short stacking energy: -203.774
Base-Backbone interact. energy: -0.211
local terms energy: -218.670888
where:
bonds (distance) C4'-P energy: -39.899
bonds (distance) P-C4' energy: -45.398
flat angles C4'-P-C4' energy: -48.415
flat angles P-C4'-P energy: -25.934
tors. eta vs tors. theta energy: -59.025
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: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -577.190309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.190309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.190309 (E_RNA)
where:
Base-Base interactions energy: -367.733
where: short stacking energy: -168.707
Base-Backbone interact. energy: -0.254
local terms energy: -209.203040
where:
bonds (distance) C4'-P energy: -39.864
bonds (distance) P-C4' energy: -44.475
flat angles C4'-P-C4' energy: -51.376
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -48.530
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: 3
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -565.762847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.762847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.762847 (E_RNA)
where:
Base-Base interactions energy: -380.454
where: short stacking energy: -168.417
Base-Backbone interact. energy: -0.156
local terms energy: -185.153271
where:
bonds (distance) C4'-P energy: -30.728
bonds (distance) P-C4' energy: -43.788
flat angles C4'-P-C4' energy: -43.762
flat angles P-C4'-P energy: -32.561
tors. eta vs tors. theta energy: -34.315
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: 7
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -486.673070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.673070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.673070 (E_RNA)
where:
Base-Base interactions energy: -310.603
where: short stacking energy: -148.217
Base-Backbone interact. energy: 0.964
local terms energy: -177.034074
where:
bonds (distance) C4'-P energy: -36.019
bonds (distance) P-C4' energy: -46.787
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -26.640
tors. eta vs tors. theta energy: -28.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -392.168784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.168784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.168784 (E_RNA)
where:
Base-Base interactions energy: -226.780
where: short stacking energy: -104.814
Base-Backbone interact. energy: 6.539
local terms energy: -171.927666
where:
bonds (distance) C4'-P energy: -35.816
bonds (distance) P-C4' energy: -46.286
flat angles C4'-P-C4' energy: -42.036
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: -23.205
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: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -220.021945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.021945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.021945 (E_RNA)
where:
Base-Base interactions energy: -76.120
where: short stacking energy: -65.544
Base-Backbone interact. energy: 2.315
local terms energy: -146.217303
where:
bonds (distance) C4'-P energy: -42.805
bonds (distance) P-C4' energy: -46.273
flat angles C4'-P-C4' energy: -31.381
flat angles P-C4'-P energy: -23.803
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: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -214.693205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.693205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.693205 (E_RNA)
where:
Base-Base interactions energy: -73.445
where: short stacking energy: -65.474
Base-Backbone interact. energy: -0.268
local terms energy: -140.980798
where:
bonds (distance) C4'-P energy: -31.279
bonds (distance) P-C4' energy: -46.582
flat angles C4'-P-C4' energy: -36.140
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -311.080984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.080984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.080984 (E_RNA)
where:
Base-Base interactions energy: -168.630
where: short stacking energy: -79.044
Base-Backbone interact. energy: 1.282
local terms energy: -143.732899
where:
bonds (distance) C4'-P energy: -42.454
bonds (distance) P-C4' energy: -40.994
flat angles C4'-P-C4' energy: -32.071
flat angles P-C4'-P energy: -19.344
tors. eta vs tors. theta energy: -8.870
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: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -186.635311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.635311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.635311 (E_RNA)
where:
Base-Base interactions energy: -64.167
where: short stacking energy: -64.422
Base-Backbone interact. energy: -0.625
local terms energy: -121.843642
where:
bonds (distance) C4'-P energy: -39.324
bonds (distance) P-C4' energy: -34.966
flat angles C4'-P-C4' energy: -29.641
flat angles P-C4'-P energy: -17.946
tors. eta vs tors. theta energy: 0.034
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: 1, replica: 5
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -646.008732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.008732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.008732 (E_RNA)
where:
Base-Base interactions energy: -428.420
where: short stacking energy: -208.123
Base-Backbone interact. energy: 0.560
local terms energy: -218.148790
where:
bonds (distance) C4'-P energy: -44.643
bonds (distance) P-C4' energy: -36.364
flat angles C4'-P-C4' energy: -49.669
flat angles P-C4'-P energy: -30.192
tors. eta vs tors. theta energy: -57.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -625.204416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.204416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.204416 (E_RNA)
where:
Base-Base interactions energy: -399.404
where: short stacking energy: -188.155
Base-Backbone interact. energy: 0.064
local terms energy: -225.864478
where:
bonds (distance) C4'-P energy: -45.538
bonds (distance) P-C4' energy: -47.711
flat angles C4'-P-C4' energy: -42.430
flat angles P-C4'-P energy: -38.021
tors. eta vs tors. theta energy: -52.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -587.734965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.734965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.734965 (E_RNA)
where:
Base-Base interactions energy: -387.525
where: short stacking energy: -171.673
Base-Backbone interact. energy: -2.038
local terms energy: -198.172433
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -40.542
flat angles C4'-P-C4' energy: -40.960
flat angles P-C4'-P energy: -22.806
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: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -565.153429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.153429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.153429 (E_RNA)
where:
Base-Base interactions energy: -369.983
where: short stacking energy: -163.613
Base-Backbone interact. energy: -0.491
local terms energy: -194.679691
where:
bonds (distance) C4'-P energy: -42.817
bonds (distance) P-C4' energy: -45.567
flat angles C4'-P-C4' energy: -38.205
flat angles P-C4'-P energy: -28.104
tors. eta vs tors. theta energy: -39.986
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: 5, replica: 7
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -493.509590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.509590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.509590 (E_RNA)
where:
Base-Base interactions energy: -310.405
where: short stacking energy: -146.301
Base-Backbone interact. energy: -0.521
local terms energy: -182.583894
where:
bonds (distance) C4'-P energy: -33.927
bonds (distance) P-C4' energy: -40.239
flat angles C4'-P-C4' energy: -45.568
flat angles P-C4'-P energy: -25.056
tors. eta vs tors. theta energy: -37.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -391.868864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.868864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.868864 (E_RNA)
where:
Base-Base interactions energy: -226.780
where: short stacking energy: -109.685
Base-Backbone interact. energy: 3.958
local terms energy: -169.046511
where:
bonds (distance) C4'-P energy: -40.739
bonds (distance) P-C4' energy: -43.669
flat angles C4'-P-C4' energy: -36.825
flat angles P-C4'-P energy: -29.678
tors. eta vs tors. theta energy: -18.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -222.672846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.672846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.672846 (E_RNA)
where:
Base-Base interactions energy: -86.176
where: short stacking energy: -67.952
Base-Backbone interact. energy: 0.313
local terms energy: -136.809625
where:
bonds (distance) C4'-P energy: -37.227
bonds (distance) P-C4' energy: -37.363
flat angles C4'-P-C4' energy: -30.842
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -197.337587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.337587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.337587 (E_RNA)
where:
Base-Base interactions energy: -66.979
where: short stacking energy: -62.598
Base-Backbone interact. energy: -0.669
local terms energy: -129.689303
where:
bonds (distance) C4'-P energy: -35.890
bonds (distance) P-C4' energy: -44.949
flat angles C4'-P-C4' energy: -31.315
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: 1.124
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: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -193.554847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.554847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.554847 (E_RNA)
where:
Base-Base interactions energy: -54.239
where: short stacking energy: -47.169
Base-Backbone interact. energy: -1.466
local terms energy: -137.850086
where:
bonds (distance) C4'-P energy: -38.016
bonds (distance) P-C4' energy: -32.072
flat angles C4'-P-C4' energy: -38.178
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -4.533
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: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -327.948764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.948764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.948764 (E_RNA)
where:
Base-Base interactions energy: -184.007
where: short stacking energy: -88.458
Base-Backbone interact. energy: -0.652
local terms energy: -143.289271
where:
bonds (distance) C4'-P energy: -31.113
bonds (distance) P-C4' energy: -27.300
flat angles C4'-P-C4' energy: -40.978
flat angles P-C4'-P energy: -23.252
tors. eta vs tors. theta energy: -20.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -644.840631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.840631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.840631 (E_RNA)
where:
Base-Base interactions energy: -422.810
where: short stacking energy: -204.814
Base-Backbone interact. energy: -0.560
local terms energy: -221.470703
where:
bonds (distance) C4'-P energy: -46.010
bonds (distance) P-C4' energy: -47.082
flat angles C4'-P-C4' energy: -48.577
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -56.221
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: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -635.957939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.957939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.957939 (E_RNA)
where:
Base-Base interactions energy: -407.308
where: short stacking energy: -198.812
Base-Backbone interact. energy: -0.418
local terms energy: -228.232629
where:
bonds (distance) C4'-P energy: -36.744
bonds (distance) P-C4' energy: -46.141
flat angles C4'-P-C4' energy: -50.506
flat angles P-C4'-P energy: -34.482
tors. eta vs tors. theta energy: -60.360
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: 279
Temperature: 1.000000
Total energy: -535.732739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.732739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.732739 (E_RNA)
where:
Base-Base interactions energy: -344.651
where: short stacking energy: -174.136
Base-Backbone interact. energy: -0.489
local terms energy: -190.592524
where:
bonds (distance) C4'-P energy: -37.943
bonds (distance) P-C4' energy: -43.279
flat angles C4'-P-C4' energy: -39.481
flat angles P-C4'-P energy: -23.203
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: 4, replica: 3
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -568.711799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.711799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.711799 (E_RNA)
where:
Base-Base interactions energy: -373.083
where: short stacking energy: -175.742
Base-Backbone interact. energy: 0.646
local terms energy: -196.274077
where:
bonds (distance) C4'-P energy: -36.901
bonds (distance) P-C4' energy: -40.620
flat angles C4'-P-C4' energy: -46.314
flat angles P-C4'-P energy: -24.591
tors. eta vs tors. theta energy: -47.848
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: 7
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -475.395772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.395772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.395772 (E_RNA)
where:
Base-Base interactions energy: -288.714
where: short stacking energy: -135.746
Base-Backbone interact. energy: 0.703
local terms energy: -187.384351
where:
bonds (distance) C4'-P energy: -44.675
bonds (distance) P-C4' energy: -41.210
flat angles C4'-P-C4' energy: -40.380
flat angles P-C4'-P energy: -24.362
tors. eta vs tors. theta energy: -36.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -414.213509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.213509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.213509 (E_RNA)
where:
Base-Base interactions energy: -236.805
where: short stacking energy: -129.191
Base-Backbone interact. energy: -0.399
local terms energy: -177.008821
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -43.780
flat angles C4'-P-C4' energy: -43.437
flat angles P-C4'-P energy: -30.590
tors. eta vs tors. theta energy: -32.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -233.263558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.263558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.263558 (E_RNA)
where:
Base-Base interactions energy: -88.863
where: short stacking energy: -79.578
Base-Backbone interact. energy: -0.532
local terms energy: -143.868953
where:
bonds (distance) C4'-P energy: -37.414
bonds (distance) P-C4' energy: -44.300
flat angles C4'-P-C4' energy: -31.499
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -260.716344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.716344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.716344 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -73.833
Base-Backbone interact. energy: 0.074
local terms energy: -127.410494
where:
bonds (distance) C4'-P energy: -33.917
bonds (distance) P-C4' energy: -30.886
flat angles C4'-P-C4' energy: -27.227
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: -8.666
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: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -178.700166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.700166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.700166 (E_RNA)
where:
Base-Base interactions energy: -55.570
where: short stacking energy: -45.984
Base-Backbone interact. energy: -1.135
local terms energy: -121.994909
where:
bonds (distance) C4'-P energy: -33.478
bonds (distance) P-C4' energy: -41.859
flat angles C4'-P-C4' energy: -34.343
flat angles P-C4'-P energy: -21.160
tors. eta vs tors. theta energy: 8.846
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: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -294.388809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.388809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.388809 (E_RNA)
where:
Base-Base interactions energy: -149.016
where: short stacking energy: -88.372
Base-Backbone interact. energy: -0.275
local terms energy: -145.097142
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -42.830
flat angles C4'-P-C4' energy: -41.226
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -649.608493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.608493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.608493 (E_RNA)
where:
Base-Base interactions energy: -434.394
where: short stacking energy: -198.768
Base-Backbone interact. energy: -0.121
local terms energy: -215.093383
where:
bonds (distance) C4'-P energy: -32.795
bonds (distance) P-C4' energy: -43.329
flat angles C4'-P-C4' energy: -48.507
flat angles P-C4'-P energy: -29.900
tors. eta vs tors. theta energy: -60.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -632.807580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.807580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.807580 (E_RNA)
where:
Base-Base interactions energy: -415.181
where: short stacking energy: -204.019
Base-Backbone interact. energy: -1.052
local terms energy: -216.574111
where:
bonds (distance) C4'-P energy: -34.952
bonds (distance) P-C4' energy: -48.688
flat angles C4'-P-C4' energy: -44.088
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -56.236
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: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -542.059828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.059828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.059828 (E_RNA)
where:
Base-Base interactions energy: -342.248
where: short stacking energy: -161.173
Base-Backbone interact. energy: 0.113
local terms energy: -199.925123
where:
bonds (distance) C4'-P energy: -45.154
bonds (distance) P-C4' energy: -41.661
flat angles C4'-P-C4' energy: -40.069
flat angles P-C4'-P energy: -32.962
tors. eta vs tors. theta energy: -40.079
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: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -570.187211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.187211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.187211 (E_RNA)
where:
Base-Base interactions energy: -369.589
where: short stacking energy: -180.182
Base-Backbone interact. energy: 0.277
local terms energy: -200.876006
where:
bonds (distance) C4'-P energy: -37.546
bonds (distance) P-C4' energy: -37.074
flat angles C4'-P-C4' energy: -44.089
flat angles P-C4'-P energy: -31.567
tors. eta vs tors. theta energy: -50.601
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: 280
Temperature: 1.100000
Total energy: -412.429534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.429534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.429534 (E_RNA)
where:
Base-Base interactions energy: -237.689
where: short stacking energy: -126.748
Base-Backbone interact. energy: 1.016
local terms energy: -175.755614
where:
bonds (distance) C4'-P energy: -35.952
bonds (distance) P-C4' energy: -43.101
flat angles C4'-P-C4' energy: -43.447
flat angles P-C4'-P energy: -29.652
tors. eta vs tors. theta energy: -23.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -441.690071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.690071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.690071 (E_RNA)
where:
Base-Base interactions energy: -295.769
where: short stacking energy: -136.807
Base-Backbone interact. energy: 1.454
local terms energy: -147.375170
where:
bonds (distance) C4'-P energy: -28.195
bonds (distance) P-C4' energy: -36.790
flat angles C4'-P-C4' energy: -44.148
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -29.697
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: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -277.295284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.295284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.295284 (E_RNA)
where:
Base-Base interactions energy: -134.496
where: short stacking energy: -78.706
Base-Backbone interact. energy: -0.715
local terms energy: -142.083839
where:
bonds (distance) C4'-P energy: -43.600
bonds (distance) P-C4' energy: -36.608
flat angles C4'-P-C4' energy: -37.312
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -5.431
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: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -206.660567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.660567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.660567 (E_RNA)
where:
Base-Base interactions energy: -67.157
where: short stacking energy: -45.822
Base-Backbone interact. energy: 0.325
local terms energy: -139.828368
where:
bonds (distance) C4'-P energy: -40.912
bonds (distance) P-C4' energy: -47.366
flat angles C4'-P-C4' energy: -28.757
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -0.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -269.666927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.666927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.666927 (E_RNA)
where:
Base-Base interactions energy: -133.866
where: short stacking energy: -58.919
Base-Backbone interact. energy: 1.740
local terms energy: -137.540916
where:
bonds (distance) C4'-P energy: -37.891
bonds (distance) P-C4' energy: -42.098
flat angles C4'-P-C4' energy: -26.831
flat angles P-C4'-P energy: -30.793
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -177.214786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.214786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.214786 (E_RNA)
where:
Base-Base interactions energy: -59.927
where: short stacking energy: -52.487
Base-Backbone interact. energy: 4.513
local terms energy: -121.800522
where:
bonds (distance) C4'-P energy: -43.534
bonds (distance) P-C4' energy: -38.996
flat angles C4'-P-C4' energy: -40.735
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -657.593283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.593283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.593283 (E_RNA)
where:
Base-Base interactions energy: -437.821
where: short stacking energy: -207.443
Base-Backbone interact. energy: -0.764
local terms energy: -219.008533
where:
bonds (distance) C4'-P energy: -37.176
bonds (distance) P-C4' energy: -42.908
flat angles C4'-P-C4' energy: -49.698
flat angles P-C4'-P energy: -33.352
tors. eta vs tors. theta energy: -55.875
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: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -624.114249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.114249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.114249 (E_RNA)
where:
Base-Base interactions energy: -398.197
where: short stacking energy: -188.409
Base-Backbone interact. energy: -0.524
local terms energy: -225.393311
where:
bonds (distance) C4'-P energy: -44.096
bonds (distance) P-C4' energy: -44.672
flat angles C4'-P-C4' energy: -43.213
flat angles P-C4'-P energy: -31.993
tors. eta vs tors. theta energy: -61.419
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: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -557.819374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.819374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.819374 (E_RNA)
where:
Base-Base interactions energy: -359.756
where: short stacking energy: -175.905
Base-Backbone interact. energy: -0.408
local terms energy: -197.655593
where:
bonds (distance) C4'-P energy: -35.034
bonds (distance) P-C4' energy: -32.893
flat angles C4'-P-C4' energy: -47.398
flat angles P-C4'-P energy: -29.726
tors. eta vs tors. theta energy: -52.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -553.738162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.738162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.738162 (E_RNA)
where:
Base-Base interactions energy: -345.173
where: short stacking energy: -144.949
Base-Backbone interact. energy: -0.314
local terms energy: -208.251874
where:
bonds (distance) C4'-P energy: -39.489
bonds (distance) P-C4' energy: -46.645
flat angles C4'-P-C4' energy: -44.313
flat angles P-C4'-P energy: -33.614
tors. eta vs tors. theta energy: -44.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -450.342763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.342763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.342763 (E_RNA)
where:
Base-Base interactions energy: -270.246
where: short stacking energy: -128.221
Base-Backbone interact. energy: -0.566
local terms energy: -179.529969
where:
bonds (distance) C4'-P energy: -38.478
bonds (distance) P-C4' energy: -38.635
flat angles C4'-P-C4' energy: -41.558
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: -33.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -460.896587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.896587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.896587 (E_RNA)
where:
Base-Base interactions energy: -303.868
where: short stacking energy: -122.614
Base-Backbone interact. energy: 3.106
local terms energy: -160.134500
where:
bonds (distance) C4'-P energy: -29.049
bonds (distance) P-C4' energy: -40.134
flat angles C4'-P-C4' energy: -38.230
flat angles P-C4'-P energy: -30.468
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -295.446663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.446663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.446663 (E_RNA)
where:
Base-Base interactions energy: -147.531
where: short stacking energy: -84.139
Base-Backbone interact. energy: -2.576
local terms energy: -145.338918
where:
bonds (distance) C4'-P energy: -36.592
bonds (distance) P-C4' energy: -35.899
flat angles C4'-P-C4' energy: -35.611
flat angles P-C4'-P energy: -20.679
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -265.039090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.039090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.039090 (E_RNA)
where:
Base-Base interactions energy: -127.643
where: short stacking energy: -71.729
Base-Backbone interact. energy: 1.233
local terms energy: -138.629111
where:
bonds (distance) C4'-P energy: -38.625
bonds (distance) P-C4' energy: -43.440
flat angles C4'-P-C4' energy: -33.522
flat angles P-C4'-P energy: -20.308
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: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -211.060866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.060866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.060866 (E_RNA)
where:
Base-Base interactions energy: -81.478
where: short stacking energy: -76.885
Base-Backbone interact. energy: 3.507
local terms energy: -133.089570
where:
bonds (distance) C4'-P energy: -34.682
bonds (distance) P-C4' energy: -34.840
flat angles C4'-P-C4' energy: -30.763
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -175.545334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.545334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.545334 (E_RNA)
where:
Base-Base interactions energy: -53.714
where: short stacking energy: -51.382
Base-Backbone interact. energy: 1.080
local terms energy: -122.911518
where:
bonds (distance) C4'-P energy: -35.599
bonds (distance) P-C4' energy: -38.111
flat angles C4'-P-C4' energy: -32.734
flat angles P-C4'-P energy: -22.162
tors. eta vs tors. theta energy: 5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -663.681595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.681595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.681595 (E_RNA)
where:
Base-Base interactions energy: -431.718
where: short stacking energy: -214.392
Base-Backbone interact. energy: 0.286
local terms energy: -232.249634
where:
bonds (distance) C4'-P energy: -41.560
bonds (distance) P-C4' energy: -42.768
flat angles C4'-P-C4' energy: -51.068
flat angles P-C4'-P energy: -33.815
tors. eta vs tors. theta energy: -63.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -612.174900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.174900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.174900 (E_RNA)
where:
Base-Base interactions energy: -388.595
where: short stacking energy: -200.129
Base-Backbone interact. energy: -1.677
local terms energy: -221.902483
where:
bonds (distance) C4'-P energy: -47.079
bonds (distance) P-C4' energy: -31.809
flat angles C4'-P-C4' energy: -46.592
flat angles P-C4'-P energy: -35.325
tors. eta vs tors. theta energy: -61.099
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: 282
Temperature: 1.000000
Total energy: -573.072062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.072062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.072062 (E_RNA)
where:
Base-Base interactions energy: -371.008
where: short stacking energy: -177.561
Base-Backbone interact. energy: -0.003
local terms energy: -202.060951
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -40.254
flat angles C4'-P-C4' energy: -35.508
flat angles P-C4'-P energy: -34.151
tors. eta vs tors. theta energy: -46.678
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: 3
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -596.573973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.573973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.573973 (E_RNA)
where:
Base-Base interactions energy: -408.872
where: short stacking energy: -166.037
Base-Backbone interact. energy: 0.778
local terms energy: -188.479667
where:
bonds (distance) C4'-P energy: -30.210
bonds (distance) P-C4' energy: -40.412
flat angles C4'-P-C4' energy: -45.810
flat angles P-C4'-P energy: -28.006
tors. eta vs tors. theta energy: -44.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -485.271732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.271732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.271732 (E_RNA)
where:
Base-Base interactions energy: -294.347
where: short stacking energy: -129.673
Base-Backbone interact. energy: -0.293
local terms energy: -190.631457
where:
bonds (distance) C4'-P energy: -48.780
bonds (distance) P-C4' energy: -40.799
flat angles C4'-P-C4' energy: -42.010
flat angles P-C4'-P energy: -22.272
tors. eta vs tors. theta energy: -36.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -415.456032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.456032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.456032 (E_RNA)
where:
Base-Base interactions energy: -241.673
where: short stacking energy: -112.504
Base-Backbone interact. energy: -0.289
local terms energy: -173.493981
where:
bonds (distance) C4'-P energy: -35.714
bonds (distance) P-C4' energy: -36.260
flat angles C4'-P-C4' energy: -35.390
flat angles P-C4'-P energy: -34.281
tors. eta vs tors. theta energy: -31.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -291.532080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.532080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.532080 (E_RNA)
where:
Base-Base interactions energy: -159.355
where: short stacking energy: -85.332
Base-Backbone interact. energy: -1.886
local terms energy: -130.290803
where:
bonds (distance) C4'-P energy: -37.210
bonds (distance) P-C4' energy: -31.124
flat angles C4'-P-C4' energy: -29.657
flat angles P-C4'-P energy: -29.490
tors. eta vs tors. theta energy: -2.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -270.910057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.910057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.910057 (E_RNA)
where:
Base-Base interactions energy: -124.340
where: short stacking energy: -74.291
Base-Backbone interact. energy: -1.033
local terms energy: -145.537232
where:
bonds (distance) C4'-P energy: -35.121
bonds (distance) P-C4' energy: -37.494
flat angles C4'-P-C4' energy: -34.096
flat angles P-C4'-P energy: -30.527
tors. eta vs tors. theta energy: -8.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -201.781528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.781528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.781528 (E_RNA)
where:
Base-Base interactions energy: -64.499
where: short stacking energy: -58.367
Base-Backbone interact. energy: -1.159
local terms energy: -136.124191
where:
bonds (distance) C4'-P energy: -41.325
bonds (distance) P-C4' energy: -42.249
flat angles C4'-P-C4' energy: -23.019
flat angles P-C4'-P energy: -26.384
tors. eta vs tors. theta energy: -3.146
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: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -182.808493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.808493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.808493 (E_RNA)
where:
Base-Base interactions energy: -72.184
where: short stacking energy: -66.119
Base-Backbone interact. energy: -0.605
local terms energy: -110.020207
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -28.758
flat angles C4'-P-C4' energy: -32.106
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -9.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -655.074655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.074655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.074655 (E_RNA)
where:
Base-Base interactions energy: -423.710
where: short stacking energy: -201.992
Base-Backbone interact. energy: -0.576
local terms energy: -230.789505
where:
bonds (distance) C4'-P energy: -41.882
bonds (distance) P-C4' energy: -43.677
flat angles C4'-P-C4' energy: -48.689
flat angles P-C4'-P energy: -36.504
tors. eta vs tors. theta energy: -60.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -632.757319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.757319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.757319 (E_RNA)
where:
Base-Base interactions energy: -414.627
where: short stacking energy: -200.267
Base-Backbone interact. energy: 0.444
local terms energy: -218.574023
where:
bonds (distance) C4'-P energy: -47.172
bonds (distance) P-C4' energy: -42.722
flat angles C4'-P-C4' energy: -46.685
flat angles P-C4'-P energy: -30.270
tors. eta vs tors. theta energy: -51.725
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: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -572.571117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.571117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.571117 (E_RNA)
where:
Base-Base interactions energy: -361.189
where: short stacking energy: -168.288
Base-Backbone interact. energy: -0.164
local terms energy: -211.218616
where:
bonds (distance) C4'-P energy: -48.253
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -46.761
flat angles P-C4'-P energy: -28.128
tors. eta vs tors. theta energy: -46.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -578.205850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.205850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.205850 (E_RNA)
where:
Base-Base interactions energy: -373.796
where: short stacking energy: -179.337
Base-Backbone interact. energy: -0.363
local terms energy: -204.046814
where:
bonds (distance) C4'-P energy: -42.382
bonds (distance) P-C4' energy: -35.246
flat angles C4'-P-C4' energy: -44.543
flat angles P-C4'-P energy: -29.532
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: 5, replica: 7
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -496.794167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.794167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.794167 (E_RNA)
where:
Base-Base interactions energy: -306.521
where: short stacking energy: -140.860
Base-Backbone interact. energy: 2.517
local terms energy: -192.790066
where:
bonds (distance) C4'-P energy: -38.120
bonds (distance) P-C4' energy: -46.169
flat angles C4'-P-C4' energy: -41.595
flat angles P-C4'-P energy: -25.837
tors. eta vs tors. theta energy: -41.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -403.775840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.775840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.775840 (E_RNA)
where:
Base-Base interactions energy: -242.618
where: short stacking energy: -125.016
Base-Backbone interact. energy: 1.848
local terms energy: -163.005897
where:
bonds (distance) C4'-P energy: -31.096
bonds (distance) P-C4' energy: -32.479
flat angles C4'-P-C4' energy: -41.626
flat angles P-C4'-P energy: -28.370
tors. eta vs tors. theta energy: -29.434
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: 283
Temperature: 1.200000
Total energy: -282.831956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.831956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.831956 (E_RNA)
where:
Base-Base interactions energy: -145.148
where: short stacking energy: -92.927
Base-Backbone interact. energy: -1.753
local terms energy: -135.931467
where:
bonds (distance) C4'-P energy: -35.902
bonds (distance) P-C4' energy: -32.855
flat angles C4'-P-C4' energy: -34.787
flat angles P-C4'-P energy: -20.684
tors. eta vs tors. theta energy: -11.703
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: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -283.755480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.755480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.755480 (E_RNA)
where:
Base-Base interactions energy: -150.559
where: short stacking energy: -94.136
Base-Backbone interact. energy: -0.000
local terms energy: -133.195894
where:
bonds (distance) C4'-P energy: -30.635
bonds (distance) P-C4' energy: -34.182
flat angles C4'-P-C4' energy: -34.557
flat angles P-C4'-P energy: -15.350
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -197.027331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.027331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.027331 (E_RNA)
where:
Base-Base interactions energy: -76.394
where: short stacking energy: -52.525
Base-Backbone interact. energy: -0.678
local terms energy: -119.954938
where:
bonds (distance) C4'-P energy: -22.658
bonds (distance) P-C4' energy: -43.741
flat angles C4'-P-C4' energy: -35.458
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -9.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -198.758286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.758286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.758286 (E_RNA)
where:
Base-Base interactions energy: -86.946
where: short stacking energy: -68.434
Base-Backbone interact. energy: -0.034
local terms energy: -111.778641
where:
bonds (distance) C4'-P energy: -31.331
bonds (distance) P-C4' energy: -40.255
flat angles C4'-P-C4' energy: -29.055
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: 2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -665.411795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.411795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.411795 (E_RNA)
where:
Base-Base interactions energy: -434.238
where: short stacking energy: -211.823
Base-Backbone interact. energy: -0.113
local terms energy: -231.060193
where:
bonds (distance) C4'-P energy: -39.075
bonds (distance) P-C4' energy: -43.834
flat angles C4'-P-C4' energy: -50.857
flat angles P-C4'-P energy: -33.400
tors. eta vs tors. theta energy: -63.894
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: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -604.129659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.129659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.129659 (E_RNA)
where:
Base-Base interactions energy: -388.799
where: short stacking energy: -188.561
Base-Backbone interact. energy: -0.608
local terms energy: -214.722910
where:
bonds (distance) C4'-P energy: -35.060
bonds (distance) P-C4' energy: -46.813
flat angles C4'-P-C4' energy: -40.658
flat angles P-C4'-P energy: -28.169
tors. eta vs tors. theta energy: -64.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -583.320771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.320771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.320771 (E_RNA)
where:
Base-Base interactions energy: -400.815
where: short stacking energy: -168.525
Base-Backbone interact. energy: -0.867
local terms energy: -181.638473
where:
bonds (distance) C4'-P energy: -31.419
bonds (distance) P-C4' energy: -38.070
flat angles C4'-P-C4' energy: -43.051
flat angles P-C4'-P energy: -28.540
tors. eta vs tors. theta energy: -40.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -555.980801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.980801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.980801 (E_RNA)
where:
Base-Base interactions energy: -370.066
where: short stacking energy: -174.744
Base-Backbone interact. energy: -0.358
local terms energy: -185.556739
where:
bonds (distance) C4'-P energy: -33.497
bonds (distance) P-C4' energy: -44.016
flat angles C4'-P-C4' energy: -37.844
flat angles P-C4'-P energy: -21.715
tors. eta vs tors. theta energy: -48.484
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: 7
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -498.512342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.512342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.512342 (E_RNA)
where:
Base-Base interactions energy: -312.637
where: short stacking energy: -140.252
Base-Backbone interact. energy: -0.282
local terms energy: -185.592639
where:
bonds (distance) C4'-P energy: -36.031
bonds (distance) P-C4' energy: -44.202
flat angles C4'-P-C4' energy: -41.151
flat angles P-C4'-P energy: -30.903
tors. eta vs tors. theta energy: -33.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -390.383870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.383870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.383870 (E_RNA)
where:
Base-Base interactions energy: -222.220
where: short stacking energy: -112.444
Base-Backbone interact. energy: -1.318
local terms energy: -166.846055
where:
bonds (distance) C4'-P energy: -44.629
bonds (distance) P-C4' energy: -39.285
flat angles C4'-P-C4' energy: -31.768
flat angles P-C4'-P energy: -20.175
tors. eta vs tors. theta energy: -30.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -257.485428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.485428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.485428 (E_RNA)
where:
Base-Base interactions energy: -119.231
where: short stacking energy: -71.311
Base-Backbone interact. energy: -1.014
local terms energy: -137.240483
where:
bonds (distance) C4'-P energy: -41.067
bonds (distance) P-C4' energy: -43.357
flat angles C4'-P-C4' energy: -30.120
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -303.239171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.239171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.239171 (E_RNA)
where:
Base-Base interactions energy: -163.625
where: short stacking energy: -88.739
Base-Backbone interact. energy: -0.492
local terms energy: -139.122674
where:
bonds (distance) C4'-P energy: -34.936
bonds (distance) P-C4' energy: -36.449
flat angles C4'-P-C4' energy: -36.437
flat angles P-C4'-P energy: -24.279
tors. eta vs tors. theta energy: -7.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -209.873937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.873937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.873937 (E_RNA)
where:
Base-Base interactions energy: -99.851
where: short stacking energy: -64.165
Base-Backbone interact. energy: -0.070
local terms energy: -109.953150
where:
bonds (distance) C4'-P energy: -35.600
bonds (distance) P-C4' energy: -39.207
flat angles C4'-P-C4' energy: -31.776
flat angles P-C4'-P energy: -4.101
tors. eta vs tors. theta energy: 0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -175.292822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.292822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.292822 (E_RNA)
where:
Base-Base interactions energy: -70.324
where: short stacking energy: -65.414
Base-Backbone interact. energy: 0.512
local terms energy: -105.480252
where:
bonds (distance) C4'-P energy: -33.306
bonds (distance) P-C4' energy: -34.609
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: 1.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -663.462376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.462376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.462376 (E_RNA)
where:
Base-Base interactions energy: -433.051
where: short stacking energy: -209.684
Base-Backbone interact. energy: -0.267
local terms energy: -230.144369
where:
bonds (distance) C4'-P energy: -36.966
bonds (distance) P-C4' energy: -49.786
flat angles C4'-P-C4' energy: -50.939
flat angles P-C4'-P energy: -33.619
tors. eta vs tors. theta energy: -58.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -608.104684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.104684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.104684 (E_RNA)
where:
Base-Base interactions energy: -388.113
where: short stacking energy: -181.317
Base-Backbone interact. energy: -0.138
local terms energy: -219.853942
where:
bonds (distance) C4'-P energy: -41.041
bonds (distance) P-C4' energy: -42.592
flat angles C4'-P-C4' energy: -46.339
flat angles P-C4'-P energy: -34.538
tors. eta vs tors. theta energy: -55.345
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: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -591.277115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.277115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.277115 (E_RNA)
where:
Base-Base interactions energy: -394.219
where: short stacking energy: -176.421
Base-Backbone interact. energy: 3.530
local terms energy: -200.588063
where:
bonds (distance) C4'-P energy: -39.514
bonds (distance) P-C4' energy: -32.757
flat angles C4'-P-C4' energy: -42.526
flat angles P-C4'-P energy: -30.419
tors. eta vs tors. theta energy: -55.372
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: 7
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -479.670938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.670938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.670938 (E_RNA)
where:
Base-Base interactions energy: -300.563
where: short stacking energy: -136.648
Base-Backbone interact. energy: -0.258
local terms energy: -178.849536
where:
bonds (distance) C4'-P energy: -45.457
bonds (distance) P-C4' energy: -39.951
flat angles C4'-P-C4' energy: -43.052
flat angles P-C4'-P energy: -21.221
tors. eta vs tors. theta energy: -29.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -518.637977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.637977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.637977 (E_RNA)
where:
Base-Base interactions energy: -325.380
where: short stacking energy: -142.929
Base-Backbone interact. energy: -0.072
local terms energy: -193.185969
where:
bonds (distance) C4'-P energy: -43.921
bonds (distance) P-C4' energy: -46.270
flat angles C4'-P-C4' energy: -44.928
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -36.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -406.824279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.824279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.824279 (E_RNA)
where:
Base-Base interactions energy: -244.194
where: short stacking energy: -124.940
Base-Backbone interact. energy: -0.441
local terms energy: -162.189156
where:
bonds (distance) C4'-P energy: -31.877
bonds (distance) P-C4' energy: -38.048
flat angles C4'-P-C4' energy: -41.705
flat angles P-C4'-P energy: -24.412
tors. eta vs tors. theta energy: -26.148
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: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -250.194215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.194215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.194215 (E_RNA)
where:
Base-Base interactions energy: -121.350
where: short stacking energy: -66.976
Base-Backbone interact. energy: -0.853
local terms energy: -127.991141
where:
bonds (distance) C4'-P energy: -37.891
bonds (distance) P-C4' energy: -35.742
flat angles C4'-P-C4' energy: -34.095
flat angles P-C4'-P energy: -18.695
tors. eta vs tors. theta energy: -1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -283.131653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.131653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.131653 (E_RNA)
where:
Base-Base interactions energy: -140.655
where: short stacking energy: -62.564
Base-Backbone interact. energy: 0.509
local terms energy: -142.985655
where:
bonds (distance) C4'-P energy: -44.811
bonds (distance) P-C4' energy: -41.852
flat angles C4'-P-C4' energy: -38.332
flat angles P-C4'-P energy: -21.040
tors. eta vs tors. theta energy: 3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -210.921438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.921438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.921438 (E_RNA)
where:
Base-Base interactions energy: -76.965
where: short stacking energy: -55.594
Base-Backbone interact. energy: 1.502
local terms energy: -135.457620
where:
bonds (distance) C4'-P energy: -36.192
bonds (distance) P-C4' energy: -39.571
flat angles C4'-P-C4' energy: -36.717
flat angles P-C4'-P energy: -26.457
tors. eta vs tors. theta energy: 3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -181.819009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.819009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.819009 (E_RNA)
where:
Base-Base interactions energy: -70.510
where: short stacking energy: -57.536
Base-Backbone interact. energy: -0.161
local terms energy: -111.148082
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -37.990
flat angles C4'-P-C4' energy: -33.432
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -648.459270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.459270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.459270 (E_RNA)
where:
Base-Base interactions energy: -420.747
where: short stacking energy: -210.615
Base-Backbone interact. energy: -1.667
local terms energy: -226.045999
where:
bonds (distance) C4'-P energy: -43.118
bonds (distance) P-C4' energy: -49.064
flat angles C4'-P-C4' energy: -41.253
flat angles P-C4'-P energy: -25.494
tors. eta vs tors. theta energy: -67.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -620.524339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.524339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.524339 (E_RNA)
where:
Base-Base interactions energy: -407.554
where: short stacking energy: -199.849
Base-Backbone interact. energy: 0.562
local terms energy: -213.532269
where:
bonds (distance) C4'-P energy: -40.132
bonds (distance) P-C4' energy: -41.642
flat angles C4'-P-C4' energy: -45.863
flat angles P-C4'-P energy: -34.186
tors. eta vs tors. theta energy: -51.709
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: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -593.745636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.745636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.745636 (E_RNA)
where:
Base-Base interactions energy: -392.288
where: short stacking energy: -177.235
Base-Backbone interact. energy: 3.038
local terms energy: -204.495601
where:
bonds (distance) C4'-P energy: -44.404
bonds (distance) P-C4' energy: -38.230
flat angles C4'-P-C4' energy: -45.238
flat angles P-C4'-P energy: -27.511
tors. eta vs tors. theta energy: -49.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -480.842463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.842463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.842463 (E_RNA)
where:
Base-Base interactions energy: -288.350
where: short stacking energy: -142.258
Base-Backbone interact. energy: -0.079
local terms energy: -192.413957
where:
bonds (distance) C4'-P energy: -42.033
bonds (distance) P-C4' energy: -46.514
flat angles C4'-P-C4' energy: -44.434
flat angles P-C4'-P energy: -21.803
tors. eta vs tors. theta energy: -37.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -522.208102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.208102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.208102 (E_RNA)
where:
Base-Base interactions energy: -335.687
where: short stacking energy: -142.186
Base-Backbone interact. energy: -0.386
local terms energy: -186.135579
where:
bonds (distance) C4'-P energy: -41.915
bonds (distance) P-C4' energy: -43.075
flat angles C4'-P-C4' energy: -37.732
flat angles P-C4'-P energy: -25.089
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: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -404.657089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.657089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.657089 (E_RNA)
where:
Base-Base interactions energy: -223.014
where: short stacking energy: -114.552
Base-Backbone interact. energy: -0.614
local terms energy: -181.029582
where:
bonds (distance) C4'-P energy: -42.918
bonds (distance) P-C4' energy: -45.710
flat angles C4'-P-C4' energy: -38.235
flat angles P-C4'-P energy: -28.762
tors. eta vs tors. theta energy: -25.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -339.506020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.506020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.506020 (E_RNA)
where:
Base-Base interactions energy: -179.798
where: short stacking energy: -102.964
Base-Backbone interact. energy: 0.846
local terms energy: -160.553454
where:
bonds (distance) C4'-P energy: -36.047
bonds (distance) P-C4' energy: -43.861
flat angles C4'-P-C4' energy: -41.725
flat angles P-C4'-P energy: -25.902
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -199.073376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.073376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.073376 (E_RNA)
where:
Base-Base interactions energy: -77.351
where: short stacking energy: -61.768
Base-Backbone interact. energy: 0.398
local terms energy: -122.119862
where:
bonds (distance) C4'-P energy: -41.738
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -32.193
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: 2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -199.561666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.561666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.561666 (E_RNA)
where:
Base-Base interactions energy: -85.850
where: short stacking energy: -79.559
Base-Backbone interact. energy: -0.879
local terms energy: -112.832981
where:
bonds (distance) C4'-P energy: -36.092
bonds (distance) P-C4' energy: -37.649
flat angles C4'-P-C4' energy: -20.014
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -178.345407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.345407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.345407 (E_RNA)
where:
Base-Base interactions energy: -66.366
where: short stacking energy: -49.189
Base-Backbone interact. energy: -0.610
local terms energy: -111.369778
where:
bonds (distance) C4'-P energy: -37.746
bonds (distance) P-C4' energy: -32.053
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -16.951
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: 5
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -665.323974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.323974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.323974 (E_RNA)
where:
Base-Base interactions energy: -426.558
where: short stacking energy: -196.616
Base-Backbone interact. energy: -0.203
local terms energy: -238.562662
where:
bonds (distance) C4'-P energy: -42.996
bonds (distance) P-C4' energy: -49.497
flat angles C4'-P-C4' energy: -51.282
flat angles P-C4'-P energy: -35.475
tors. eta vs tors. theta energy: -59.313
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: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -626.519430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.519430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.519430 (E_RNA)
where:
Base-Base interactions energy: -403.753
where: short stacking energy: -181.139
Base-Backbone interact. energy: -1.420
local terms energy: -221.346220
where:
bonds (distance) C4'-P energy: -45.302
bonds (distance) P-C4' energy: -38.039
flat angles C4'-P-C4' energy: -48.790
flat angles P-C4'-P energy: -35.219
tors. eta vs tors. theta energy: -53.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -594.092043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.092043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.092043 (E_RNA)
where:
Base-Base interactions energy: -389.980
where: short stacking energy: -190.861
Base-Backbone interact. energy: 0.543
local terms energy: -204.654612
where:
bonds (distance) C4'-P energy: -39.473
bonds (distance) P-C4' energy: -30.747
flat angles C4'-P-C4' energy: -42.827
flat angles P-C4'-P energy: -30.265
tors. eta vs tors. theta energy: -61.342
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: 4
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -553.569444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.569444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.569444 (E_RNA)
where:
Base-Base interactions energy: -355.920
where: short stacking energy: -151.830
Base-Backbone interact. energy: -0.151
local terms energy: -197.498937
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -43.054
flat angles C4'-P-C4' energy: -46.240
flat angles P-C4'-P energy: -33.584
tors. eta vs tors. theta energy: -40.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -479.520986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.520986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.520986 (E_RNA)
where:
Base-Base interactions energy: -304.862
where: short stacking energy: -137.281
Base-Backbone interact. energy: 3.430
local terms energy: -178.088637
where:
bonds (distance) C4'-P energy: -46.201
bonds (distance) P-C4' energy: -40.939
flat angles C4'-P-C4' energy: -35.612
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -28.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -392.711095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.711095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.711095 (E_RNA)
where:
Base-Base interactions energy: -236.044
where: short stacking energy: -93.181
Base-Backbone interact. energy: -0.607
local terms energy: -156.059548
where:
bonds (distance) C4'-P energy: -36.014
bonds (distance) P-C4' energy: -42.026
flat angles C4'-P-C4' energy: -40.623
flat angles P-C4'-P energy: -22.952
tors. eta vs tors. theta energy: -14.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -346.400167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.400167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.400167 (E_RNA)
where:
Base-Base interactions energy: -198.008
where: short stacking energy: -89.028
Base-Backbone interact. energy: -1.801
local terms energy: -146.590627
where:
bonds (distance) C4'-P energy: -40.562
bonds (distance) P-C4' energy: -36.949
flat angles C4'-P-C4' energy: -26.243
flat angles P-C4'-P energy: -26.039
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -196.922251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.922251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.922251 (E_RNA)
where:
Base-Base interactions energy: -65.128
where: short stacking energy: -49.234
Base-Backbone interact. energy: 0.087
local terms energy: -131.881147
where:
bonds (distance) C4'-P energy: -35.998
bonds (distance) P-C4' energy: -36.706
flat angles C4'-P-C4' energy: -28.362
flat angles P-C4'-P energy: -26.366
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -185.537666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.537666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.537666 (E_RNA)
where:
Base-Base interactions energy: -66.969
where: short stacking energy: -53.327
Base-Backbone interact. energy: 1.881
local terms energy: -120.449684
where:
bonds (distance) C4'-P energy: -34.742
bonds (distance) P-C4' energy: -40.266
flat angles C4'-P-C4' energy: -33.014
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: 6.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -180.473549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.473549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.473549 (E_RNA)
where:
Base-Base interactions energy: -49.636
where: short stacking energy: -38.241
Base-Backbone interact. energy: -0.461
local terms energy: -130.377027
where:
bonds (distance) C4'-P energy: -30.509
bonds (distance) P-C4' energy: -39.346
flat angles C4'-P-C4' energy: -38.141
flat angles P-C4'-P energy: -17.920
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -667.711707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.711707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.711707 (E_RNA)
where:
Base-Base interactions energy: -439.050
where: short stacking energy: -208.888
Base-Backbone interact. energy: -0.854
local terms energy: -227.807390
where:
bonds (distance) C4'-P energy: -45.216
bonds (distance) P-C4' energy: -39.552
flat angles C4'-P-C4' energy: -49.870
flat angles P-C4'-P energy: -31.501
tors. eta vs tors. theta energy: -61.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -613.107953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.107953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.107953 (E_RNA)
where:
Base-Base interactions energy: -422.310
where: short stacking energy: -193.992
Base-Backbone interact. energy: -0.589
local terms energy: -190.209488
where:
bonds (distance) C4'-P energy: -33.184
bonds (distance) P-C4' energy: -38.328
flat angles C4'-P-C4' energy: -42.636
flat angles P-C4'-P energy: -28.692
tors. eta vs tors. theta energy: -47.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -614.500559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.500559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.500559 (E_RNA)
where:
Base-Base interactions energy: -394.645
where: short stacking energy: -200.181
Base-Backbone interact. energy: 0.554
local terms energy: -220.409108
where:
bonds (distance) C4'-P energy: -35.892
bonds (distance) P-C4' energy: -46.735
flat angles C4'-P-C4' energy: -49.479
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -62.870
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: 4, replica: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -551.417278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.417278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.417278 (E_RNA)
where:
Base-Base interactions energy: -351.425
where: short stacking energy: -160.507
Base-Backbone interact. energy: -0.359
local terms energy: -199.633020
where:
bonds (distance) C4'-P energy: -39.008
bonds (distance) P-C4' energy: -46.099
flat angles C4'-P-C4' energy: -43.171
flat angles P-C4'-P energy: -30.914
tors. eta vs tors. theta energy: -40.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -461.863027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.863027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.863027 (E_RNA)
where:
Base-Base interactions energy: -279.407
where: short stacking energy: -130.876
Base-Backbone interact. energy: -0.965
local terms energy: -181.490793
where:
bonds (distance) C4'-P energy: -36.535
bonds (distance) P-C4' energy: -48.956
flat angles C4'-P-C4' energy: -38.977
flat angles P-C4'-P energy: -23.470
tors. eta vs tors. theta energy: -33.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -386.110138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.110138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.110138 (E_RNA)
where:
Base-Base interactions energy: -220.129
where: short stacking energy: -87.829
Base-Backbone interact. energy: -0.759
local terms energy: -165.222668
where:
bonds (distance) C4'-P energy: -39.240
bonds (distance) P-C4' energy: -45.504
flat angles C4'-P-C4' energy: -43.932
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -24.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -386.269028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.269028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.269028 (E_RNA)
where:
Base-Base interactions energy: -228.320
where: short stacking energy: -112.314
Base-Backbone interact. energy: -0.798
local terms energy: -157.151155
where:
bonds (distance) C4'-P energy: -35.525
bonds (distance) P-C4' energy: -34.150
flat angles C4'-P-C4' energy: -38.120
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -26.312
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: 2
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -197.610101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.610101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.610101 (E_RNA)
where:
Base-Base interactions energy: -68.357
where: short stacking energy: -48.126
Base-Backbone interact. energy: -1.081
local terms energy: -128.171608
where:
bonds (distance) C4'-P energy: -31.521
bonds (distance) P-C4' energy: -42.554
flat angles C4'-P-C4' energy: -28.320
flat angles P-C4'-P energy: -24.824
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -193.008033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.008033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.008033 (E_RNA)
where:
Base-Base interactions energy: -72.350
where: short stacking energy: -71.519
Base-Backbone interact. energy: -2.029
local terms energy: -118.629718
where:
bonds (distance) C4'-P energy: -29.249
bonds (distance) P-C4' energy: -35.555
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -20.119
tors. eta vs tors. theta energy: -11.179
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: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -171.624226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.624226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.624226 (E_RNA)
where:
Base-Base interactions energy: -61.137
where: short stacking energy: -36.764
Base-Backbone interact. energy: -0.277
local terms energy: -110.209598
where:
bonds (distance) C4'-P energy: -32.057
bonds (distance) P-C4' energy: -42.563
flat angles C4'-P-C4' energy: -27.041
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: 8.889
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: 5
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -666.548130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.548130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.548130 (E_RNA)
where:
Base-Base interactions energy: -437.489
where: short stacking energy: -206.092
Base-Backbone interact. energy: -0.533
local terms energy: -228.525819
where:
bonds (distance) C4'-P energy: -45.190
bonds (distance) P-C4' energy: -43.584
flat angles C4'-P-C4' energy: -44.643
flat angles P-C4'-P energy: -28.594
tors. eta vs tors. theta energy: -66.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -620.158409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.158409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.158409 (E_RNA)
where:
Base-Base interactions energy: -414.633
where: short stacking energy: -192.502
Base-Backbone interact. energy: 0.372
local terms energy: -205.897642
where:
bonds (distance) C4'-P energy: -33.834
bonds (distance) P-C4' energy: -33.514
flat angles C4'-P-C4' energy: -47.873
flat angles P-C4'-P energy: -34.147
tors. eta vs tors. theta energy: -56.529
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: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -630.873491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.873491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.873491 (E_RNA)
where:
Base-Base interactions energy: -418.977
where: short stacking energy: -176.550
Base-Backbone interact. energy: 1.046
local terms energy: -212.942517
where:
bonds (distance) C4'-P energy: -36.011
bonds (distance) P-C4' energy: -44.127
flat angles C4'-P-C4' energy: -45.106
flat angles P-C4'-P energy: -34.554
tors. eta vs tors. theta energy: -53.145
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: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -559.100983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.100983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.100983 (E_RNA)
where:
Base-Base interactions energy: -354.235
where: short stacking energy: -174.663
Base-Backbone interact. energy: 0.197
local terms energy: -205.063669
where:
bonds (distance) C4'-P energy: -33.881
bonds (distance) P-C4' energy: -44.280
flat angles C4'-P-C4' energy: -49.753
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -52.598
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: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -474.407955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.407955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.407955 (E_RNA)
where:
Base-Base interactions energy: -296.596
where: short stacking energy: -153.736
Base-Backbone interact. energy: 0.207
local terms energy: -178.018371
where:
bonds (distance) C4'-P energy: -45.151
bonds (distance) P-C4' energy: -30.591
flat angles C4'-P-C4' energy: -41.894
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: -33.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -399.059454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.059454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.059454 (E_RNA)
where:
Base-Base interactions energy: -217.924
where: short stacking energy: -117.995
Base-Backbone interact. energy: -0.382
local terms energy: -180.753237
where:
bonds (distance) C4'-P energy: -51.412
bonds (distance) P-C4' energy: -41.814
flat angles C4'-P-C4' energy: -32.043
flat angles P-C4'-P energy: -30.293
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: 7, replica: 10
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -421.871217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.871217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.871217 (E_RNA)
where:
Base-Base interactions energy: -246.869
where: short stacking energy: -128.798
Base-Backbone interact. energy: -1.540
local terms energy: -173.461699
where:
bonds (distance) C4'-P energy: -39.712
bonds (distance) P-C4' energy: -43.539
flat angles C4'-P-C4' energy: -41.228
flat angles P-C4'-P energy: -22.244
tors. eta vs tors. theta energy: -26.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -217.548666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.548666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.548666 (E_RNA)
where:
Base-Base interactions energy: -82.412
where: short stacking energy: -68.589
Base-Backbone interact. energy: -0.790
local terms energy: -134.346591
where:
bonds (distance) C4'-P energy: -32.412
bonds (distance) P-C4' energy: -31.680
flat angles C4'-P-C4' energy: -37.174
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -209.593783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.593783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.593783 (E_RNA)
where:
Base-Base interactions energy: -73.997
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.778
local terms energy: -134.819003
where:
bonds (distance) C4'-P energy: -39.303
bonds (distance) P-C4' energy: -37.120
flat angles C4'-P-C4' energy: -36.651
flat angles P-C4'-P energy: -22.893
tors. eta vs tors. theta energy: 1.148
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: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -189.022666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.022666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.022666 (E_RNA)
where:
Base-Base interactions energy: -72.841
where: short stacking energy: -70.068
Base-Backbone interact. energy: 0.320
local terms energy: -116.501188
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -36.781
flat angles C4'-P-C4' energy: -38.235
flat angles P-C4'-P energy: -15.530
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: 1, replica: 5
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -673.872153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.872153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.872153 (E_RNA)
where:
Base-Base interactions energy: -440.213
where: short stacking energy: -209.451
Base-Backbone interact. energy: -0.050
local terms energy: -233.609061
where:
bonds (distance) C4'-P energy: -44.612
bonds (distance) P-C4' energy: -44.224
flat angles C4'-P-C4' energy: -50.162
flat angles P-C4'-P energy: -29.695
tors. eta vs tors. theta energy: -64.916
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: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -611.796944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.796944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.796944 (E_RNA)
where:
Base-Base interactions energy: -402.913
where: short stacking energy: -185.529
Base-Backbone interact. energy: -0.180
local terms energy: -208.703890
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -40.409
flat angles C4'-P-C4' energy: -48.194
flat angles P-C4'-P energy: -30.876
tors. eta vs tors. theta energy: -53.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -622.647982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.647982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.647982 (E_RNA)
where:
Base-Base interactions energy: -398.407
where: short stacking energy: -189.623
Base-Backbone interact. energy: 1.230
local terms energy: -225.470414
where:
bonds (distance) C4'-P energy: -42.752
bonds (distance) P-C4' energy: -47.278
flat angles C4'-P-C4' energy: -43.249
flat angles P-C4'-P energy: -34.371
tors. eta vs tors. theta energy: -57.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -579.927225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.927225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.927225 (E_RNA)
where:
Base-Base interactions energy: -365.378
where: short stacking energy: -161.552
Base-Backbone interact. energy: -0.112
local terms energy: -214.437166
where:
bonds (distance) C4'-P energy: -45.720
bonds (distance) P-C4' energy: -42.203
flat angles C4'-P-C4' energy: -41.187
flat angles P-C4'-P energy: -30.288
tors. eta vs tors. theta energy: -55.039
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: 7
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -469.885752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.885752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.885752 (E_RNA)
where:
Base-Base interactions energy: -290.494
where: short stacking energy: -134.024
Base-Backbone interact. energy: 0.052
local terms energy: -179.443698
where:
bonds (distance) C4'-P energy: -35.884
bonds (distance) P-C4' energy: -43.687
flat angles C4'-P-C4' energy: -39.353
flat angles P-C4'-P energy: -31.432
tors. eta vs tors. theta energy: -29.087
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: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -417.667204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.667204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.667204 (E_RNA)
where:
Base-Base interactions energy: -247.609
where: short stacking energy: -114.234
Base-Backbone interact. energy: -0.391
local terms energy: -169.667266
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -42.461
flat angles C4'-P-C4' energy: -39.009
flat angles P-C4'-P energy: -30.513
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -342.788342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.788342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.788342 (E_RNA)
where:
Base-Base interactions energy: -198.895
where: short stacking energy: -87.152
Base-Backbone interact. energy: -1.331
local terms energy: -142.561669
where:
bonds (distance) C4'-P energy: -38.880
bonds (distance) P-C4' energy: -28.745
flat angles C4'-P-C4' energy: -38.698
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -212.439390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.439390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.439390 (E_RNA)
where:
Base-Base interactions energy: -75.504
where: short stacking energy: -65.421
Base-Backbone interact. energy: -0.724
local terms energy: -136.211972
where:
bonds (distance) C4'-P energy: -41.272
bonds (distance) P-C4' energy: -31.715
flat angles C4'-P-C4' energy: -39.043
flat angles P-C4'-P energy: -22.113
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: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -198.548626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.548626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.548626 (E_RNA)
where:
Base-Base interactions energy: -86.816
where: short stacking energy: -77.219
Base-Backbone interact. energy: 0.813
local terms energy: -112.545405
where:
bonds (distance) C4'-P energy: -38.397
bonds (distance) P-C4' energy: -37.540
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -204.116940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.116940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.116940 (E_RNA)
where:
Base-Base interactions energy: -76.000
where: short stacking energy: -52.297
Base-Backbone interact. energy: -0.894
local terms energy: -127.222624
where:
bonds (distance) C4'-P energy: -32.720
bonds (distance) P-C4' energy: -41.078
flat angles C4'-P-C4' energy: -32.312
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -670.916149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.916149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.916149 (E_RNA)
where:
Base-Base interactions energy: -435.931
where: short stacking energy: -213.319
Base-Backbone interact. energy: -0.531
local terms energy: -234.454133
where:
bonds (distance) C4'-P energy: -45.553
bonds (distance) P-C4' energy: -44.896
flat angles C4'-P-C4' energy: -51.967
flat angles P-C4'-P energy: -29.705
tors. eta vs tors. theta energy: -62.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -642.371037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.371037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.371037 (E_RNA)
where:
Base-Base interactions energy: -429.837
where: short stacking energy: -182.992
Base-Backbone interact. energy: 0.829
local terms energy: -213.363618
where:
bonds (distance) C4'-P energy: -34.817
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -46.605
flat angles P-C4'-P energy: -30.037
tors. eta vs tors. theta energy: -54.451
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: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -617.577146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.577146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.577146 (E_RNA)
where:
Base-Base interactions energy: -414.586
where: short stacking energy: -198.908
Base-Backbone interact. energy: -0.173
local terms energy: -202.817927
where:
bonds (distance) C4'-P energy: -36.789
bonds (distance) P-C4' energy: -39.967
flat angles C4'-P-C4' energy: -44.081
flat angles P-C4'-P energy: -22.747
tors. eta vs tors. theta energy: -59.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -571.089151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.089151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.089151 (E_RNA)
where:
Base-Base interactions energy: -369.352
where: short stacking energy: -168.767
Base-Backbone interact. energy: -1.733
local terms energy: -200.003738
where:
bonds (distance) C4'-P energy: -39.086
bonds (distance) P-C4' energy: -32.477
flat angles C4'-P-C4' energy: -42.274
flat angles P-C4'-P energy: -31.260
tors. eta vs tors. theta energy: -54.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -501.827067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.827067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.827067 (E_RNA)
where:
Base-Base interactions energy: -329.105
where: short stacking energy: -140.599
Base-Backbone interact. energy: -1.944
local terms energy: -170.777202
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -34.931
flat angles C4'-P-C4' energy: -41.396
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -35.574
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: 291
Temperature: 1.150000
Total energy: -450.407857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.407857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.407857 (E_RNA)
where:
Base-Base interactions energy: -275.752
where: short stacking energy: -144.246
Base-Backbone interact. energy: -1.610
local terms energy: -173.045714
where:
bonds (distance) C4'-P energy: -36.502
bonds (distance) P-C4' energy: -38.482
flat angles C4'-P-C4' energy: -31.042
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: -42.439
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: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -322.207533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.207533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.207533 (E_RNA)
where:
Base-Base interactions energy: -168.692
where: short stacking energy: -99.263
Base-Backbone interact. energy: -1.185
local terms energy: -152.330198
where:
bonds (distance) C4'-P energy: -36.269
bonds (distance) P-C4' energy: -41.189
flat angles C4'-P-C4' energy: -33.510
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -217.288212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.288212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.288212 (E_RNA)
where:
Base-Base interactions energy: -81.515
where: short stacking energy: -55.302
Base-Backbone interact. energy: 2.393
local terms energy: -138.165612
where:
bonds (distance) C4'-P energy: -37.927
bonds (distance) P-C4' energy: -39.280
flat angles C4'-P-C4' energy: -37.152
flat angles P-C4'-P energy: -23.241
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: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -192.945440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.945440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.945440 (E_RNA)
where:
Base-Base interactions energy: -66.599
where: short stacking energy: -62.498
Base-Backbone interact. energy: 0.650
local terms energy: -126.996763
where:
bonds (distance) C4'-P energy: -34.321
bonds (distance) P-C4' energy: -27.781
flat angles C4'-P-C4' energy: -37.551
flat angles P-C4'-P energy: -18.754
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -202.425007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.425007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.425007 (E_RNA)
where:
Base-Base interactions energy: -66.434
where: short stacking energy: -49.707
Base-Backbone interact. energy: -0.858
local terms energy: -135.133637
where:
bonds (distance) C4'-P energy: -42.523
bonds (distance) P-C4' energy: -35.622
flat angles C4'-P-C4' energy: -29.134
flat angles P-C4'-P energy: -25.246
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -671.315989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.315989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.315989 (E_RNA)
where:
Base-Base interactions energy: -444.030
where: short stacking energy: -216.483
Base-Backbone interact. energy: 0.134
local terms energy: -227.420467
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -47.317
flat angles C4'-P-C4' energy: -50.321
flat angles P-C4'-P energy: -28.702
tors. eta vs tors. theta energy: -56.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -623.920685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.920685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.920685 (E_RNA)
where:
Base-Base interactions energy: -416.170
where: short stacking energy: -183.608
Base-Backbone interact. energy: -0.510
local terms energy: -207.239879
where:
bonds (distance) C4'-P energy: -40.306
bonds (distance) P-C4' energy: -35.564
flat angles C4'-P-C4' energy: -46.174
flat angles P-C4'-P energy: -30.399
tors. eta vs tors. theta energy: -54.797
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: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -552.070616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.070616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.070616 (E_RNA)
where:
Base-Base interactions energy: -363.585
where: short stacking energy: -171.295
Base-Backbone interact. energy: -0.435
local terms energy: -188.049967
where:
bonds (distance) C4'-P energy: -38.829
bonds (distance) P-C4' energy: -33.955
flat angles C4'-P-C4' energy: -42.609
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -47.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -599.195879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.195879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.195879 (E_RNA)
where:
Base-Base interactions energy: -382.353
where: short stacking energy: -186.916
Base-Backbone interact. energy: -0.038
local terms energy: -216.805819
where:
bonds (distance) C4'-P energy: -37.590
bonds (distance) P-C4' energy: -46.592
flat angles C4'-P-C4' energy: -41.993
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -57.277
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: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -508.568153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.568153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.568153 (E_RNA)
where:
Base-Base interactions energy: -309.748
where: short stacking energy: -147.798
Base-Backbone interact. energy: -0.544
local terms energy: -198.276411
where:
bonds (distance) C4'-P energy: -37.912
bonds (distance) P-C4' energy: -44.111
flat angles C4'-P-C4' energy: -43.456
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -44.526
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: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -444.100846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.100846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.100846 (E_RNA)
where:
Base-Base interactions energy: -270.994
where: short stacking energy: -125.663
Base-Backbone interact. energy: -1.826
local terms energy: -171.280794
where:
bonds (distance) C4'-P energy: -30.149
bonds (distance) P-C4' energy: -46.068
flat angles C4'-P-C4' energy: -38.312
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -31.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -316.081029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.081029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.081029 (E_RNA)
where:
Base-Base interactions energy: -157.933
where: short stacking energy: -90.908
Base-Backbone interact. energy: -0.739
local terms energy: -157.408701
where:
bonds (distance) C4'-P energy: -34.595
bonds (distance) P-C4' energy: -40.680
flat angles C4'-P-C4' energy: -42.124
flat angles P-C4'-P energy: -19.425
tors. eta vs tors. theta energy: -20.585
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: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -238.613381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.613381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.613381 (E_RNA)
where:
Base-Base interactions energy: -86.877
where: short stacking energy: -56.418
Base-Backbone interact. energy: -1.085
local terms energy: -150.652093
where:
bonds (distance) C4'-P energy: -36.127
bonds (distance) P-C4' energy: -44.888
flat angles C4'-P-C4' energy: -39.344
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -214.252448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.252448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.252448 (E_RNA)
where:
Base-Base interactions energy: -67.396
where: short stacking energy: -56.074
Base-Backbone interact. energy: 1.253
local terms energy: -148.109630
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -41.452
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -29.039
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -171.609836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.609836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.609836 (E_RNA)
where:
Base-Base interactions energy: -53.156
where: short stacking energy: -45.829
Base-Backbone interact. energy: 3.322
local terms energy: -121.775579
where:
bonds (distance) C4'-P energy: -46.508
bonds (distance) P-C4' energy: -42.392
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -22.201
tors. eta vs tors. theta energy: 12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -661.051509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.051509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.051509 (E_RNA)
where:
Base-Base interactions energy: -421.648
where: short stacking energy: -205.382
Base-Backbone interact. energy: -0.402
local terms energy: -239.001234
where:
bonds (distance) C4'-P energy: -45.802
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -50.740
flat angles P-C4'-P energy: -30.490
tors. eta vs tors. theta energy: -68.897
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: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -628.650248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.650248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.650248 (E_RNA)
where:
Base-Base interactions energy: -411.735
where: short stacking energy: -190.148
Base-Backbone interact. energy: -0.898
local terms energy: -216.016772
where:
bonds (distance) C4'-P energy: -42.095
bonds (distance) P-C4' energy: -42.060
flat angles C4'-P-C4' energy: -41.966
flat angles P-C4'-P energy: -29.379
tors. eta vs tors. theta energy: -60.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -584.298252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.298252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.298252 (E_RNA)
where:
Base-Base interactions energy: -375.470
where: short stacking energy: -186.777
Base-Backbone interact. energy: -0.219
local terms energy: -208.609525
where:
bonds (distance) C4'-P energy: -41.019
bonds (distance) P-C4' energy: -33.744
flat angles C4'-P-C4' energy: -48.563
flat angles P-C4'-P energy: -33.443
tors. eta vs tors. theta energy: -51.839
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: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -576.242183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.242183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.242183 (E_RNA)
where:
Base-Base interactions energy: -379.630
where: short stacking energy: -172.262
Base-Backbone interact. energy: 0.324
local terms energy: -196.935657
where:
bonds (distance) C4'-P energy: -34.680
bonds (distance) P-C4' energy: -37.528
flat angles C4'-P-C4' energy: -49.695
flat angles P-C4'-P energy: -26.595
tors. eta vs tors. theta energy: -48.438
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: 7
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -461.566557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.566557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.566557 (E_RNA)
where:
Base-Base interactions energy: -291.746
where: short stacking energy: -124.124
Base-Backbone interact. energy: 2.464
local terms energy: -172.284589
where:
bonds (distance) C4'-P energy: -39.034
bonds (distance) P-C4' energy: -36.950
flat angles C4'-P-C4' energy: -46.059
flat angles P-C4'-P energy: -17.936
tors. eta vs tors. theta energy: -32.306
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: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -431.476048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.476048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.476048 (E_RNA)
where:
Base-Base interactions energy: -249.829
where: short stacking energy: -127.608
Base-Backbone interact. energy: -0.736
local terms energy: -180.910763
where:
bonds (distance) C4'-P energy: -40.228
bonds (distance) P-C4' energy: -43.979
flat angles C4'-P-C4' energy: -35.117
flat angles P-C4'-P energy: -26.683
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: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -309.300114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.300114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.300114 (E_RNA)
where:
Base-Base interactions energy: -160.682
where: short stacking energy: -97.606
Base-Backbone interact. energy: 0.450
local terms energy: -149.068550
where:
bonds (distance) C4'-P energy: -30.562
bonds (distance) P-C4' energy: -40.021
flat angles C4'-P-C4' energy: -31.623
flat angles P-C4'-P energy: -24.798
tors. eta vs tors. theta energy: -22.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -240.248936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.248936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.248936 (E_RNA)
where:
Base-Base interactions energy: -87.584
where: short stacking energy: -60.752
Base-Backbone interact. energy: -0.499
local terms energy: -152.165856
where:
bonds (distance) C4'-P energy: -43.840
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -39.273
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: -2.651
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: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -191.532818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.532818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.532818 (E_RNA)
where:
Base-Base interactions energy: -68.907
where: short stacking energy: -51.374
Base-Backbone interact. energy: 1.343
local terms energy: -123.968556
where:
bonds (distance) C4'-P energy: -28.729
bonds (distance) P-C4' energy: -38.717
flat angles C4'-P-C4' energy: -26.816
flat angles P-C4'-P energy: -18.822
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -187.271728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.271728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.271728 (E_RNA)
where:
Base-Base interactions energy: -73.261
where: short stacking energy: -56.530
Base-Backbone interact. energy: 1.089
local terms energy: -115.099796
where:
bonds (distance) C4'-P energy: -29.523
bonds (distance) P-C4' energy: -41.087
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: 4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -653.278962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.278962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.278962 (E_RNA)
where:
Base-Base interactions energy: -434.832
where: short stacking energy: -214.755
Base-Backbone interact. energy: -0.220
local terms energy: -218.226806
where:
bonds (distance) C4'-P energy: -41.642
bonds (distance) P-C4' energy: -41.690
flat angles C4'-P-C4' energy: -43.831
flat angles P-C4'-P energy: -29.955
tors. eta vs tors. theta energy: -61.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -649.810438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.810438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.810438 (E_RNA)
where:
Base-Base interactions energy: -436.306
where: short stacking energy: -187.051
Base-Backbone interact. energy: 0.675
local terms energy: -214.178643
where:
bonds (distance) C4'-P energy: -39.838
bonds (distance) P-C4' energy: -43.271
flat angles C4'-P-C4' energy: -42.611
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -50.577
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: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -622.697108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.697108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.697108 (E_RNA)
where:
Base-Base interactions energy: -412.593
where: short stacking energy: -202.176
Base-Backbone interact. energy: -0.290
local terms energy: -209.814165
where:
bonds (distance) C4'-P energy: -33.908
bonds (distance) P-C4' energy: -42.906
flat angles C4'-P-C4' energy: -36.468
flat angles P-C4'-P energy: -32.567
tors. eta vs tors. theta energy: -63.965
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: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -568.348266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.348266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.348266 (E_RNA)
where:
Base-Base interactions energy: -362.374
where: short stacking energy: -187.628
Base-Backbone interact. energy: 0.397
local terms energy: -206.371529
where:
bonds (distance) C4'-P energy: -44.021
bonds (distance) P-C4' energy: -38.480
flat angles C4'-P-C4' energy: -46.621
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -56.122
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: 294
Temperature: 1.100000
Total energy: -461.184107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.184107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.184107 (E_RNA)
where:
Base-Base interactions energy: -282.549
where: short stacking energy: -143.173
Base-Backbone interact. energy: -0.537
local terms energy: -178.098888
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -46.159
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -33.037
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: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -488.357988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.357988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.357988 (E_RNA)
where:
Base-Base interactions energy: -303.290
where: short stacking energy: -122.887
Base-Backbone interact. energy: 0.550
local terms energy: -185.617899
where:
bonds (distance) C4'-P energy: -39.277
bonds (distance) P-C4' energy: -46.647
flat angles C4'-P-C4' energy: -41.377
flat angles P-C4'-P energy: -27.224
tors. eta vs tors. theta energy: -31.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -341.701077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.701077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.701077 (E_RNA)
where:
Base-Base interactions energy: -178.644
where: short stacking energy: -108.322
Base-Backbone interact. energy: -0.431
local terms energy: -162.625245
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -40.911
flat angles C4'-P-C4' energy: -40.932
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: -27.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -249.587758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.587758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.587758 (E_RNA)
where:
Base-Base interactions energy: -116.504
where: short stacking energy: -68.012
Base-Backbone interact. energy: -1.763
local terms energy: -131.321025
where:
bonds (distance) C4'-P energy: -40.028
bonds (distance) P-C4' energy: -40.601
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -26.263
tors. eta vs tors. theta energy: -1.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -192.767877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.767877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.767877 (E_RNA)
where:
Base-Base interactions energy: -68.921
where: short stacking energy: -55.589
Base-Backbone interact. energy: -0.097
local terms energy: -123.750190
where:
bonds (distance) C4'-P energy: -29.785
bonds (distance) P-C4' energy: -42.423
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -27.920
tors. eta vs tors. theta energy: -1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -182.558279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.558279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.558279 (E_RNA)
where:
Base-Base interactions energy: -47.129
where: short stacking energy: -31.408
Base-Backbone interact. energy: -1.177
local terms energy: -134.252409
where:
bonds (distance) C4'-P energy: -37.888
bonds (distance) P-C4' energy: -39.262
flat angles C4'-P-C4' energy: -39.711
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: 7.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -657.949546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.949546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.949546 (E_RNA)
where:
Base-Base interactions energy: -424.080
where: short stacking energy: -219.980
Base-Backbone interact. energy: -0.496
local terms energy: -233.373326
where:
bonds (distance) C4'-P energy: -44.411
bonds (distance) P-C4' energy: -38.603
flat angles C4'-P-C4' energy: -54.105
flat angles P-C4'-P energy: -33.161
tors. eta vs tors. theta energy: -63.093
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: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -634.774648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.774648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.774648 (E_RNA)
where:
Base-Base interactions energy: -416.136
where: short stacking energy: -193.121
Base-Backbone interact. energy: -0.150
local terms energy: -218.489057
where:
bonds (distance) C4'-P energy: -38.072
bonds (distance) P-C4' energy: -45.153
flat angles C4'-P-C4' energy: -50.100
flat angles P-C4'-P energy: -30.653
tors. eta vs tors. theta energy: -54.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -605.324276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.324276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.324276 (E_RNA)
where:
Base-Base interactions energy: -399.676
where: short stacking energy: -187.101
Base-Backbone interact. energy: -0.131
local terms energy: -205.518000
where:
bonds (distance) C4'-P energy: -36.328
bonds (distance) P-C4' energy: -39.740
flat angles C4'-P-C4' energy: -43.623
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: -59.600
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: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -529.479974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.479974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.479974 (E_RNA)
where:
Base-Base interactions energy: -324.467
where: short stacking energy: -158.608
Base-Backbone interact. energy: 0.170
local terms energy: -205.182577
where:
bonds (distance) C4'-P energy: -38.116
bonds (distance) P-C4' energy: -45.647
flat angles C4'-P-C4' energy: -39.294
flat angles P-C4'-P energy: -33.726
tors. eta vs tors. theta energy: -48.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -467.394274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.394274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.394274 (E_RNA)
where:
Base-Base interactions energy: -269.803
where: short stacking energy: -130.860
Base-Backbone interact. energy: -0.320
local terms energy: -197.271020
where:
bonds (distance) C4'-P energy: -39.538
bonds (distance) P-C4' energy: -40.407
flat angles C4'-P-C4' energy: -46.003
flat angles P-C4'-P energy: -30.840
tors. eta vs tors. theta energy: -40.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -455.416888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.416888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.416888 (E_RNA)
where:
Base-Base interactions energy: -287.562
where: short stacking energy: -126.821
Base-Backbone interact. energy: 0.093
local terms energy: -167.947060
where:
bonds (distance) C4'-P energy: -39.324
bonds (distance) P-C4' energy: -40.345
flat angles C4'-P-C4' energy: -42.519
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -30.798
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: 295
Temperature: 1.200000
Total energy: -318.698231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.698231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.698231 (E_RNA)
where:
Base-Base interactions energy: -169.205
where: short stacking energy: -98.586
Base-Backbone interact. energy: 0.437
local terms energy: -149.929835
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -41.452
flat angles C4'-P-C4' energy: -43.259
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -9.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -257.898396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.898396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.898396 (E_RNA)
where:
Base-Base interactions energy: -106.563
where: short stacking energy: -64.247
Base-Backbone interact. energy: -0.955
local terms energy: -150.379515
where:
bonds (distance) C4'-P energy: -36.004
bonds (distance) P-C4' energy: -40.580
flat angles C4'-P-C4' energy: -39.621
flat angles P-C4'-P energy: -25.284
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -200.515466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.515466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.515466 (E_RNA)
where:
Base-Base interactions energy: -71.541
where: short stacking energy: -53.705
Base-Backbone interact. energy: 0.405
local terms energy: -129.379079
where:
bonds (distance) C4'-P energy: -26.886
bonds (distance) P-C4' energy: -38.274
flat angles C4'-P-C4' energy: -38.248
flat angles P-C4'-P energy: -25.638
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -186.342672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.342672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.342672 (E_RNA)
where:
Base-Base interactions energy: -67.202
where: short stacking energy: -44.162
Base-Backbone interact. energy: 0.576
local terms energy: -119.716532
where:
bonds (distance) C4'-P energy: -33.532
bonds (distance) P-C4' energy: -40.043
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: 4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -667.649436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.649436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.649436 (E_RNA)
where:
Base-Base interactions energy: -432.718
where: short stacking energy: -210.437
Base-Backbone interact. energy: -0.363
local terms energy: -234.568464
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -44.251
flat angles C4'-P-C4' energy: -49.138
flat angles P-C4'-P energy: -36.786
tors. eta vs tors. theta energy: -65.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -636.955783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.955783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.955783 (E_RNA)
where:
Base-Base interactions energy: -417.960
where: short stacking energy: -202.524
Base-Backbone interact. energy: 0.721
local terms energy: -219.717007
where:
bonds (distance) C4'-P energy: -40.169
bonds (distance) P-C4' energy: -37.774
flat angles C4'-P-C4' energy: -49.248
flat angles P-C4'-P energy: -30.106
tors. eta vs tors. theta energy: -62.419
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: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -608.716172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.716172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.716172 (E_RNA)
where:
Base-Base interactions energy: -392.261
where: short stacking energy: -192.249
Base-Backbone interact. energy: -0.087
local terms energy: -216.367250
where:
bonds (distance) C4'-P energy: -33.238
bonds (distance) P-C4' energy: -43.570
flat angles C4'-P-C4' energy: -47.305
flat angles P-C4'-P energy: -35.817
tors. eta vs tors. theta energy: -56.437
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: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -516.236136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.236136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.236136 (E_RNA)
where:
Base-Base interactions energy: -322.083
where: short stacking energy: -157.664
Base-Backbone interact. energy: -0.039
local terms energy: -194.113816
where:
bonds (distance) C4'-P energy: -35.463
bonds (distance) P-C4' energy: -37.293
flat angles C4'-P-C4' energy: -42.643
flat angles P-C4'-P energy: -29.703
tors. eta vs tors. theta energy: -49.012
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: 296
Temperature: 1.100000
Total energy: -493.177560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.177560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.177560 (E_RNA)
where:
Base-Base interactions energy: -305.295
where: short stacking energy: -137.118
Base-Backbone interact. energy: -0.792
local terms energy: -187.090423
where:
bonds (distance) C4'-P energy: -32.485
bonds (distance) P-C4' energy: -48.779
flat angles C4'-P-C4' energy: -40.661
flat angles P-C4'-P energy: -30.596
tors. eta vs tors. theta energy: -34.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -463.059279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.059279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.059279 (E_RNA)
where:
Base-Base interactions energy: -293.632
where: short stacking energy: -129.493
Base-Backbone interact. energy: 0.531
local terms energy: -169.958757
where:
bonds (distance) C4'-P energy: -35.990
bonds (distance) P-C4' energy: -38.997
flat angles C4'-P-C4' energy: -38.811
flat angles P-C4'-P energy: -30.236
tors. eta vs tors. theta energy: -25.925
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: 2
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -246.347765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.347765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.347765 (E_RNA)
where:
Base-Base interactions energy: -108.204
where: short stacking energy: -72.617
Base-Backbone interact. energy: -1.762
local terms energy: -136.382096
where:
bonds (distance) C4'-P energy: -35.041
bonds (distance) P-C4' energy: -36.121
flat angles C4'-P-C4' energy: -34.456
flat angles P-C4'-P energy: -23.918
tors. eta vs tors. theta energy: -6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -295.271401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.271401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.271401 (E_RNA)
where:
Base-Base interactions energy: -149.313
where: short stacking energy: -83.431
Base-Backbone interact. energy: -0.679
local terms energy: -145.279573
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -37.521
flat angles C4'-P-C4' energy: -32.940
flat angles P-C4'-P energy: -27.464
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -193.150217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.150217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.150217 (E_RNA)
where:
Base-Base interactions energy: -70.885
where: short stacking energy: -63.251
Base-Backbone interact. energy: 0.413
local terms energy: -122.678068
where:
bonds (distance) C4'-P energy: -30.413
bonds (distance) P-C4' energy: -40.052
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -17.904
tors. eta vs tors. theta energy: -2.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -184.192549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.192549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.192549 (E_RNA)
where:
Base-Base interactions energy: -67.762
where: short stacking energy: -43.416
Base-Backbone interact. energy: -0.059
local terms energy: -116.371886
where:
bonds (distance) C4'-P energy: -36.955
bonds (distance) P-C4' energy: -38.377
flat angles C4'-P-C4' energy: -34.600
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: 7.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -670.417359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.417359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.417359 (E_RNA)
where:
Base-Base interactions energy: -444.593
where: short stacking energy: -206.936
Base-Backbone interact. energy: -0.330
local terms energy: -225.494567
where:
bonds (distance) C4'-P energy: -43.044
bonds (distance) P-C4' energy: -43.681
flat angles C4'-P-C4' energy: -49.264
flat angles P-C4'-P energy: -27.790
tors. eta vs tors. theta energy: -61.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -611.600884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.600884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.600884 (E_RNA)
where:
Base-Base interactions energy: -406.927
where: short stacking energy: -180.364
Base-Backbone interact. energy: 0.912
local terms energy: -205.585719
where:
bonds (distance) C4'-P energy: -35.701
bonds (distance) P-C4' energy: -44.634
flat angles C4'-P-C4' energy: -42.705
flat angles P-C4'-P energy: -28.863
tors. eta vs tors. theta energy: -53.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -606.578198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.578198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.578198 (E_RNA)
where:
Base-Base interactions energy: -393.405
where: short stacking energy: -189.097
Base-Backbone interact. energy: -0.466
local terms energy: -212.707656
where:
bonds (distance) C4'-P energy: -34.733
bonds (distance) P-C4' energy: -42.310
flat angles C4'-P-C4' energy: -48.202
flat angles P-C4'-P energy: -32.104
tors. eta vs tors. theta energy: -55.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -492.466558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.466558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.466558 (E_RNA)
where:
Base-Base interactions energy: -309.665
where: short stacking energy: -156.110
Base-Backbone interact. energy: -0.174
local terms energy: -182.627423
where:
bonds (distance) C4'-P energy: -34.622
bonds (distance) P-C4' energy: -36.037
flat angles C4'-P-C4' energy: -39.982
flat angles P-C4'-P energy: -33.321
tors. eta vs tors. theta energy: -38.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -551.731166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.731166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.731166 (E_RNA)
where:
Base-Base interactions energy: -353.444
where: short stacking energy: -165.834
Base-Backbone interact. energy: 2.149
local terms energy: -200.436846
where:
bonds (distance) C4'-P energy: -43.446
bonds (distance) P-C4' energy: -38.860
flat angles C4'-P-C4' energy: -42.500
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: -47.238
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: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -471.973641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.973641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.973641 (E_RNA)
where:
Base-Base interactions energy: -320.708
where: short stacking energy: -139.179
Base-Backbone interact. energy: -1.242
local terms energy: -150.023634
where:
bonds (distance) C4'-P energy: -26.803
bonds (distance) P-C4' energy: -34.599
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -23.401
tors. eta vs tors. theta energy: -33.003
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: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -253.313245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.313245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.313245 (E_RNA)
where:
Base-Base interactions energy: -102.128
where: short stacking energy: -82.058
Base-Backbone interact. energy: 3.555
local terms energy: -154.739764
where:
bonds (distance) C4'-P energy: -43.111
bonds (distance) P-C4' energy: -36.547
flat angles C4'-P-C4' energy: -34.666
flat angles P-C4'-P energy: -29.107
tors. eta vs tors. theta energy: -11.309
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: 297
Temperature: 1.250000
Total energy: -286.455986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.455986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.455986 (E_RNA)
where:
Base-Base interactions energy: -131.905
where: short stacking energy: -80.703
Base-Backbone interact. energy: 0.098
local terms energy: -154.648959
where:
bonds (distance) C4'-P energy: -43.998
bonds (distance) P-C4' energy: -34.846
flat angles C4'-P-C4' energy: -42.526
flat angles P-C4'-P energy: -24.866
tors. eta vs tors. theta energy: -8.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -217.315637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.315637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.315637 (E_RNA)
where:
Base-Base interactions energy: -80.003
where: short stacking energy: -74.687
Base-Backbone interact. energy: -1.443
local terms energy: -135.868894
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -38.898
flat angles C4'-P-C4' energy: -36.319
flat angles P-C4'-P energy: -23.809
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: 9
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -177.409806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.409806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.409806 (E_RNA)
where:
Base-Base interactions energy: -67.329
where: short stacking energy: -48.279
Base-Backbone interact. energy: 0.093
local terms energy: -110.173777
where:
bonds (distance) C4'-P energy: -27.022
bonds (distance) P-C4' energy: -40.501
flat angles C4'-P-C4' energy: -33.707
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: 7.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -668.333587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.333587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.333587 (E_RNA)
where:
Base-Base interactions energy: -437.188
where: short stacking energy: -208.827
Base-Backbone interact. energy: -0.381
local terms energy: -230.763732
where:
bonds (distance) C4'-P energy: -46.245
bonds (distance) P-C4' energy: -48.759
flat angles C4'-P-C4' energy: -43.555
flat angles P-C4'-P energy: -28.332
tors. eta vs tors. theta energy: -63.873
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: 298
Temperature: 0.950000
Total energy: -609.060489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.060489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.060489 (E_RNA)
where:
Base-Base interactions energy: -396.141
where: short stacking energy: -185.930
Base-Backbone interact. energy: -0.545
local terms energy: -212.374505
where:
bonds (distance) C4'-P energy: -45.025
bonds (distance) P-C4' energy: -42.771
flat angles C4'-P-C4' energy: -41.745
flat angles P-C4'-P energy: -29.308
tors. eta vs tors. theta energy: -53.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -602.684804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.684804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.684804 (E_RNA)
where:
Base-Base interactions energy: -403.445
where: short stacking energy: -175.936
Base-Backbone interact. energy: 0.720
local terms energy: -199.959795
where:
bonds (distance) C4'-P energy: -42.017
bonds (distance) P-C4' energy: -41.341
flat angles C4'-P-C4' energy: -39.297
flat angles P-C4'-P energy: -31.574
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: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -461.093309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.093309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.093309 (E_RNA)
where:
Base-Base interactions energy: -287.716
where: short stacking energy: -137.685
Base-Backbone interact. energy: -0.617
local terms energy: -172.760444
where:
bonds (distance) C4'-P energy: -40.219
bonds (distance) P-C4' energy: -40.044
flat angles C4'-P-C4' energy: -43.980
flat angles P-C4'-P energy: -21.929
tors. eta vs tors. theta energy: -26.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -547.646224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.646224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.646224 (E_RNA)
where:
Base-Base interactions energy: -347.602
where: short stacking energy: -163.369
Base-Backbone interact. energy: -1.039
local terms energy: -199.004534
where:
bonds (distance) C4'-P energy: -35.200
bonds (distance) P-C4' energy: -37.448
flat angles C4'-P-C4' energy: -49.907
flat angles P-C4'-P energy: -29.981
tors. eta vs tors. theta energy: -46.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -463.504372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.504372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.504372 (E_RNA)
where:
Base-Base interactions energy: -293.809
where: short stacking energy: -126.619
Base-Backbone interact. energy: -0.579
local terms energy: -169.116699
where:
bonds (distance) C4'-P energy: -38.913
bonds (distance) P-C4' energy: -41.681
flat angles C4'-P-C4' energy: -35.731
flat angles P-C4'-P energy: -25.564
tors. eta vs tors. theta energy: -27.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -355.943074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.943074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.943074 (E_RNA)
where:
Base-Base interactions energy: -198.934
where: short stacking energy: -119.501
Base-Backbone interact. energy: 0.282
local terms energy: -157.291371
where:
bonds (distance) C4'-P energy: -31.500
bonds (distance) P-C4' energy: -41.582
flat angles C4'-P-C4' energy: -32.804
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -30.750
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: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -217.601407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.601407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.601407 (E_RNA)
where:
Base-Base interactions energy: -75.094
where: short stacking energy: -75.003
Base-Backbone interact. energy: -0.969
local terms energy: -141.538642
where:
bonds (distance) C4'-P energy: -43.417
bonds (distance) P-C4' energy: -39.477
flat angles C4'-P-C4' energy: -35.880
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -11.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -197.253131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.253131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.253131 (E_RNA)
where:
Base-Base interactions energy: -86.692
where: short stacking energy: -53.906
Base-Backbone interact. energy: 0.425
local terms energy: -110.985613
where:
bonds (distance) C4'-P energy: -37.666
bonds (distance) P-C4' energy: -39.795
flat angles C4'-P-C4' energy: -31.122
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: 6.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -177.899591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.899591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.899591 (E_RNA)
where:
Base-Base interactions energy: -70.805
where: short stacking energy: -45.266
Base-Backbone interact. energy: -0.712
local terms energy: -106.382767
where:
bonds (distance) C4'-P energy: -30.221
bonds (distance) P-C4' energy: -39.624
flat angles C4'-P-C4' energy: -25.602
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: 6.258
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: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -670.049973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.049973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.049973 (E_RNA)
where:
Base-Base interactions energy: -456.008
where: short stacking energy: -211.040
Base-Backbone interact. energy: -0.455
local terms energy: -213.587032
where:
bonds (distance) C4'-P energy: -40.862
bonds (distance) P-C4' energy: -39.459
flat angles C4'-P-C4' energy: -46.515
flat angles P-C4'-P energy: -27.369
tors. eta vs tors. theta energy: -59.382
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: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -634.724929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.724929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.724929 (E_RNA)
where:
Base-Base interactions energy: -432.876
where: short stacking energy: -201.645
Base-Backbone interact. energy: 1.283
local terms energy: -203.131755
where:
bonds (distance) C4'-P energy: -32.696
bonds (distance) P-C4' energy: -36.986
flat angles C4'-P-C4' energy: -45.257
flat angles P-C4'-P energy: -30.511
tors. eta vs tors. theta energy: -57.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -597.023642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.023642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.023642 (E_RNA)
where:
Base-Base interactions energy: -380.094
where: short stacking energy: -191.628
Base-Backbone interact. energy: -0.237
local terms energy: -216.692694
where:
bonds (distance) C4'-P energy: -38.156
bonds (distance) P-C4' energy: -47.564
flat angles C4'-P-C4' energy: -45.170
flat angles P-C4'-P energy: -27.923
tors. eta vs tors. theta energy: -57.880
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: 299
Temperature: 1.050000
Total energy: -553.815044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.815044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.815044 (E_RNA)
where:
Base-Base interactions energy: -342.432
where: short stacking energy: -166.578
Base-Backbone interact. energy: -0.470
local terms energy: -210.912633
where:
bonds (distance) C4'-P energy: -45.534
bonds (distance) P-C4' energy: -38.305
flat angles C4'-P-C4' energy: -46.187
flat angles P-C4'-P energy: -32.209
tors. eta vs tors. theta energy: -48.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -472.550322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.550322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.550322 (E_RNA)
where:
Base-Base interactions energy: -299.819
where: short stacking energy: -136.008
Base-Backbone interact. energy: -1.113
local terms energy: -171.618495
where:
bonds (distance) C4'-P energy: -32.147
bonds (distance) P-C4' energy: -31.398
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -31.717
tors. eta vs tors. theta energy: -39.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -471.637677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.637677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.637677 (E_RNA)
where:
Base-Base interactions energy: -289.511
where: short stacking energy: -138.661
Base-Backbone interact. energy: -0.750
local terms energy: -181.376528
where:
bonds (distance) C4'-P energy: -35.125
bonds (distance) P-C4' energy: -44.041
flat angles C4'-P-C4' energy: -37.009
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: -41.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -365.263562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.263562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.263562 (E_RNA)
where:
Base-Base interactions energy: -216.204
where: short stacking energy: -114.241
Base-Backbone interact. energy: -1.964
local terms energy: -147.094953
where:
bonds (distance) C4'-P energy: -39.364
bonds (distance) P-C4' energy: -42.283
flat angles C4'-P-C4' energy: -37.121
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -209.056318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.056318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.056318 (E_RNA)
where:
Base-Base interactions energy: -70.519
where: short stacking energy: -65.095
Base-Backbone interact. energy: -0.228
local terms energy: -138.310167
where:
bonds (distance) C4'-P energy: -30.878
bonds (distance) P-C4' energy: -47.726
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -25.371
tors. eta vs tors. theta energy: -4.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -206.991442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.991442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.991442 (E_RNA)
where:
Base-Base interactions energy: -88.825
where: short stacking energy: -52.345
Base-Backbone interact. energy: -1.202
local terms energy: -116.964795
where:
bonds (distance) C4'-P energy: -40.940
bonds (distance) P-C4' energy: -27.064
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -20.454
tors. eta vs tors. theta energy: 4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -169.974570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.974570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.974570 (E_RNA)
where:
Base-Base interactions energy: -51.099
where: short stacking energy: -40.138
Base-Backbone interact. energy: -1.219
local terms energy: -117.656209
where:
bonds (distance) C4'-P energy: -33.130
bonds (distance) P-C4' energy: -37.189
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -29.691
tors. eta vs tors. theta energy: 8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -675.306332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.306332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.306332 (E_RNA)
where:
Base-Base interactions energy: -432.955
where: short stacking energy: -191.757
Base-Backbone interact. energy: -0.147
local terms energy: -242.204649
where:
bonds (distance) C4'-P energy: -46.695
bonds (distance) P-C4' energy: -50.017
flat angles C4'-P-C4' energy: -50.781
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: -60.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -637.727897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.727897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.727897 (E_RNA)
where:
Base-Base interactions energy: -420.472
where: short stacking energy: -185.761
Base-Backbone interact. energy: -0.757
local terms energy: -216.498531
where:
bonds (distance) C4'-P energy: -43.990
bonds (distance) P-C4' energy: -46.894
flat angles C4'-P-C4' energy: -45.123
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -47.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -561.122938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.122938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.122938 (E_RNA)
where:
Base-Base interactions energy: -362.251
where: short stacking energy: -170.800
Base-Backbone interact. energy: -0.362
local terms energy: -198.510080
where:
bonds (distance) C4'-P energy: -40.230
bonds (distance) P-C4' energy: -37.331
flat angles C4'-P-C4' energy: -44.204
flat angles P-C4'-P energy: -22.858
tors. eta vs tors. theta energy: -53.886
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: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -587.646406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.646406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.646406 (E_RNA)
where:
Base-Base interactions energy: -379.936
where: short stacking energy: -170.224
Base-Backbone interact. energy: -0.395
local terms energy: -207.315760
where:
bonds (distance) C4'-P energy: -41.453
bonds (distance) P-C4' energy: -42.723
flat angles C4'-P-C4' energy: -42.045
flat angles P-C4'-P energy: -31.506
tors. eta vs tors. theta energy: -49.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -501.023117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.023117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.023117 (E_RNA)
where:
Base-Base interactions energy: -321.163
where: short stacking energy: -158.436
Base-Backbone interact. energy: -0.840
local terms energy: -179.020598
where:
bonds (distance) C4'-P energy: -38.414
bonds (distance) P-C4' energy: -32.834
flat angles C4'-P-C4' energy: -31.805
flat angles P-C4'-P energy: -27.919
tors. eta vs tors. theta energy: -48.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -439.563472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.563472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.563472 (E_RNA)
where:
Base-Base interactions energy: -273.622
where: short stacking energy: -133.978
Base-Backbone interact. energy: -1.389
local terms energy: -164.552290
where:
bonds (distance) C4'-P energy: -40.493
bonds (distance) P-C4' energy: -35.086
flat angles C4'-P-C4' energy: -35.372
flat angles P-C4'-P energy: -25.639
tors. eta vs tors. theta energy: -27.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -343.051774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.051774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.051774 (E_RNA)
where:
Base-Base interactions energy: -204.275
where: short stacking energy: -104.502
Base-Backbone interact. energy: 2.739
local terms energy: -141.515134
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -37.898
flat angles C4'-P-C4' energy: -37.445
flat angles P-C4'-P energy: -24.290
tors. eta vs tors. theta energy: -19.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -216.952356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.952356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.952356 (E_RNA)
where:
Base-Base interactions energy: -71.870
where: short stacking energy: -59.425
Base-Backbone interact. energy: -0.735
local terms energy: -144.347845
where:
bonds (distance) C4'-P energy: -35.610
bonds (distance) P-C4' energy: -51.534
flat angles C4'-P-C4' energy: -32.588
flat angles P-C4'-P energy: -23.966
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: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -180.646697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.646697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.646697 (E_RNA)
where:
Base-Base interactions energy: -81.062
where: short stacking energy: -65.690
Base-Backbone interact. energy: 1.799
local terms energy: -101.384035
where:
bonds (distance) C4'-P energy: -33.571
bonds (distance) P-C4' energy: -38.835
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: 5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -188.947605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.947605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.947605 (E_RNA)
where:
Base-Base interactions energy: -66.714
where: short stacking energy: -63.915
Base-Backbone interact. energy: 2.290
local terms energy: -124.523843
where:
bonds (distance) C4'-P energy: -33.415
bonds (distance) P-C4' energy: -32.872
flat angles C4'-P-C4' energy: -34.588
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -658.252258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.252258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.252258 (E_RNA)
where:
Base-Base interactions energy: -438.810
where: short stacking energy: -208.206
Base-Backbone interact. energy: -1.483
local terms energy: -217.958406
where:
bonds (distance) C4'-P energy: -47.208
bonds (distance) P-C4' energy: -34.520
flat angles C4'-P-C4' energy: -49.363
flat angles P-C4'-P energy: -25.927
tors. eta vs tors. theta energy: -60.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -617.502514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.502514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.502514 (E_RNA)
where:
Base-Base interactions energy: -407.644
where: short stacking energy: -183.745
Base-Backbone interact. energy: 0.088
local terms energy: -209.946131
where:
bonds (distance) C4'-P energy: -42.713
bonds (distance) P-C4' energy: -41.167
flat angles C4'-P-C4' energy: -43.971
flat angles P-C4'-P energy: -32.582
tors. eta vs tors. theta energy: -49.514
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: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -574.508402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.508402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.508402 (E_RNA)
where:
Base-Base interactions energy: -367.665
where: short stacking energy: -172.553
Base-Backbone interact. energy: -1.012
local terms energy: -205.831917
where:
bonds (distance) C4'-P energy: -44.000
bonds (distance) P-C4' energy: -40.056
flat angles C4'-P-C4' energy: -41.642
flat angles P-C4'-P energy: -30.711
tors. eta vs tors. theta energy: -49.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -586.461172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.461172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.461172 (E_RNA)
where:
Base-Base interactions energy: -388.673
where: short stacking energy: -178.237
Base-Backbone interact. energy: -0.226
local terms energy: -197.562440
where:
bonds (distance) C4'-P energy: -39.418
bonds (distance) P-C4' energy: -39.390
flat angles C4'-P-C4' energy: -37.221
flat angles P-C4'-P energy: -32.311
tors. eta vs tors. theta energy: -49.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -491.483223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.483223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.483223 (E_RNA)
where:
Base-Base interactions energy: -307.632
where: short stacking energy: -144.874
Base-Backbone interact. energy: -0.392
local terms energy: -183.458937
where:
bonds (distance) C4'-P energy: -38.668
bonds (distance) P-C4' energy: -39.836
flat angles C4'-P-C4' energy: -38.494
flat angles P-C4'-P energy: -23.604
tors. eta vs tors. theta energy: -42.857
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: 301
Temperature: 1.150000
Total energy: -427.828591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.828591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.828591 (E_RNA)
where:
Base-Base interactions energy: -260.527
where: short stacking energy: -126.302
Base-Backbone interact. energy: -1.071
local terms energy: -166.230462
where:
bonds (distance) C4'-P energy: -40.161
bonds (distance) P-C4' energy: -37.133
flat angles C4'-P-C4' energy: -42.338
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -26.582
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: 301
Temperature: 1.200000
Total energy: -351.241382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.241382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.241382 (E_RNA)
where:
Base-Base interactions energy: -194.167
where: short stacking energy: -101.976
Base-Backbone interact. energy: -1.027
local terms energy: -156.048144
where:
bonds (distance) C4'-P energy: -29.913
bonds (distance) P-C4' energy: -38.064
flat angles C4'-P-C4' energy: -35.926
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -23.011
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: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -208.149565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.149565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.149565 (E_RNA)
where:
Base-Base interactions energy: -73.786
where: short stacking energy: -68.579
Base-Backbone interact. energy: 1.710
local terms energy: -136.073087
where:
bonds (distance) C4'-P energy: -37.159
bonds (distance) P-C4' energy: -37.498
flat angles C4'-P-C4' energy: -25.944
flat angles P-C4'-P energy: -22.541
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -198.830123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.830123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.830123 (E_RNA)
where:
Base-Base interactions energy: -66.171
where: short stacking energy: -46.644
Base-Backbone interact. energy: -0.467
local terms energy: -132.191393
where:
bonds (distance) C4'-P energy: -36.982
bonds (distance) P-C4' energy: -39.634
flat angles C4'-P-C4' energy: -37.394
flat angles P-C4'-P energy: -22.981
tors. eta vs tors. theta energy: 4.800
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: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -167.899289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.899289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.899289 (E_RNA)
where:
Base-Base interactions energy: -44.390
where: short stacking energy: -37.335
Base-Backbone interact. energy: -0.371
local terms energy: -123.137737
where:
bonds (distance) C4'-P energy: -43.744
bonds (distance) P-C4' energy: -41.509
flat angles C4'-P-C4' energy: -23.160
flat angles P-C4'-P energy: -20.422
tors. eta vs tors. theta energy: 5.697
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: 3
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -636.033422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.033422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.033422 (E_RNA)
where:
Base-Base interactions energy: -415.749
where: short stacking energy: -190.706
Base-Backbone interact. energy: -0.025
local terms energy: -220.258644
where:
bonds (distance) C4'-P energy: -45.030
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -48.668
flat angles P-C4'-P energy: -36.682
tors. eta vs tors. theta energy: -51.434
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: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -633.007400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.007400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.007400 (E_RNA)
where:
Base-Base interactions energy: -417.341
where: short stacking energy: -209.261
Base-Backbone interact. energy: -0.265
local terms energy: -215.401805
where:
bonds (distance) C4'-P energy: -39.228
bonds (distance) P-C4' energy: -35.408
flat angles C4'-P-C4' energy: -50.371
flat angles P-C4'-P energy: -31.997
tors. eta vs tors. theta energy: -58.397
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: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -608.204278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.204278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.204278 (E_RNA)
where:
Base-Base interactions energy: -391.591
where: short stacking energy: -188.033
Base-Backbone interact. energy: -0.342
local terms energy: -216.272171
where:
bonds (distance) C4'-P energy: -43.708
bonds (distance) P-C4' energy: -46.678
flat angles C4'-P-C4' energy: -39.483
flat angles P-C4'-P energy: -29.285
tors. eta vs tors. theta energy: -57.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -545.717518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.717518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.717518 (E_RNA)
where:
Base-Base interactions energy: -337.603
where: short stacking energy: -169.801
Base-Backbone interact. energy: -0.247
local terms energy: -207.867936
where:
bonds (distance) C4'-P energy: -43.863
bonds (distance) P-C4' energy: -40.096
flat angles C4'-P-C4' energy: -42.920
flat angles P-C4'-P energy: -28.519
tors. eta vs tors. theta energy: -52.470
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: 7
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -518.110355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.110355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.110355 (E_RNA)
where:
Base-Base interactions energy: -316.639
where: short stacking energy: -149.372
Base-Backbone interact. energy: 0.194
local terms energy: -201.665193
where:
bonds (distance) C4'-P energy: -43.845
bonds (distance) P-C4' energy: -40.936
flat angles C4'-P-C4' energy: -37.944
flat angles P-C4'-P energy: -32.739
tors. eta vs tors. theta energy: -46.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -438.543646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.543646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.543646 (E_RNA)
where:
Base-Base interactions energy: -250.314
where: short stacking energy: -113.977
Base-Backbone interact. energy: 0.535
local terms energy: -188.765352
where:
bonds (distance) C4'-P energy: -46.765
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -36.696
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -34.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -379.015497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.015497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.015497 (E_RNA)
where:
Base-Base interactions energy: -210.654
where: short stacking energy: -122.576
Base-Backbone interact. energy: -1.299
local terms energy: -167.062516
where:
bonds (distance) C4'-P energy: -44.656
bonds (distance) P-C4' energy: -35.641
flat angles C4'-P-C4' energy: -40.849
flat angles P-C4'-P energy: -20.784
tors. eta vs tors. theta energy: -25.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -225.390130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.390130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.390130 (E_RNA)
where:
Base-Base interactions energy: -89.530
where: short stacking energy: -66.365
Base-Backbone interact. energy: -1.505
local terms energy: -134.355828
where:
bonds (distance) C4'-P energy: -40.624
bonds (distance) P-C4' energy: -43.938
flat angles C4'-P-C4' energy: -31.529
flat angles P-C4'-P energy: -18.548
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: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -211.412063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.412063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.412063 (E_RNA)
where:
Base-Base interactions energy: -86.230
where: short stacking energy: -67.979
Base-Backbone interact. energy: 4.308
local terms energy: -129.490146
where:
bonds (distance) C4'-P energy: -32.732
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -37.620
flat angles P-C4'-P energy: -26.487
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -182.647595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.647595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.647595 (E_RNA)
where:
Base-Base interactions energy: -54.496
where: short stacking energy: -47.742
Base-Backbone interact. energy: -1.139
local terms energy: -127.011860
where:
bonds (distance) C4'-P energy: -33.837
bonds (distance) P-C4' energy: -45.006
flat angles C4'-P-C4' energy: -31.752
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: 1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -655.320424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.320424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.320424 (E_RNA)
where:
Base-Base interactions energy: -437.918
where: short stacking energy: -199.659
Base-Backbone interact. energy: -0.755
local terms energy: -216.647497
where:
bonds (distance) C4'-P energy: -37.351
bonds (distance) P-C4' energy: -42.084
flat angles C4'-P-C4' energy: -44.753
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: -56.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -639.311009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.311009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.311009 (E_RNA)
where:
Base-Base interactions energy: -421.145
where: short stacking energy: -195.371
Base-Backbone interact. energy: 1.398
local terms energy: -219.563641
where:
bonds (distance) C4'-P energy: -41.184
bonds (distance) P-C4' energy: -44.282
flat angles C4'-P-C4' energy: -48.535
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -55.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -585.042596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.042596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.042596 (E_RNA)
where:
Base-Base interactions energy: -395.574
where: short stacking energy: -169.563
Base-Backbone interact. energy: -0.209
local terms energy: -189.259941
where:
bonds (distance) C4'-P energy: -32.809
bonds (distance) P-C4' energy: -41.945
flat angles C4'-P-C4' energy: -37.343
flat angles P-C4'-P energy: -31.834
tors. eta vs tors. theta energy: -45.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -515.121533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.121533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.121533 (E_RNA)
where:
Base-Base interactions energy: -319.440
where: short stacking energy: -152.757
Base-Backbone interact. energy: 2.808
local terms energy: -198.489350
where:
bonds (distance) C4'-P energy: -37.079
bonds (distance) P-C4' energy: -45.084
flat angles C4'-P-C4' energy: -38.648
flat angles P-C4'-P energy: -35.352
tors. eta vs tors. theta energy: -42.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -490.367097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.367097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.367097 (E_RNA)
where:
Base-Base interactions energy: -296.570
where: short stacking energy: -131.776
Base-Backbone interact. energy: -1.103
local terms energy: -192.693273
where:
bonds (distance) C4'-P energy: -41.332
bonds (distance) P-C4' energy: -40.650
flat angles C4'-P-C4' energy: -45.084
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -42.521
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: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -440.715900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.715900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.715900 (E_RNA)
where:
Base-Base interactions energy: -273.041
where: short stacking energy: -143.981
Base-Backbone interact. energy: -1.798
local terms energy: -165.876753
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -45.470
flat angles C4'-P-C4' energy: -45.862
flat angles P-C4'-P energy: -19.732
tors. eta vs tors. theta energy: -28.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -385.269199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.269199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.269199 (E_RNA)
where:
Base-Base interactions energy: -199.194
where: short stacking energy: -112.742
Base-Backbone interact. energy: -0.286
local terms energy: -185.789412
where:
bonds (distance) C4'-P energy: -34.639
bonds (distance) P-C4' energy: -50.393
flat angles C4'-P-C4' energy: -35.039
flat angles P-C4'-P energy: -32.468
tors. eta vs tors. theta energy: -33.250
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: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -204.525736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.525736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.525736 (E_RNA)
where:
Base-Base interactions energy: -70.127
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.387
local terms energy: -134.011944
where:
bonds (distance) C4'-P energy: -45.283
bonds (distance) P-C4' energy: -41.582
flat angles C4'-P-C4' energy: -39.623
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: 5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -199.961969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.961969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.961969 (E_RNA)
where:
Base-Base interactions energy: -72.733
where: short stacking energy: -60.854
Base-Backbone interact. energy: 0.846
local terms energy: -128.075121
where:
bonds (distance) C4'-P energy: -43.343
bonds (distance) P-C4' energy: -35.124
flat angles C4'-P-C4' energy: -25.466
flat angles P-C4'-P energy: -21.183
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: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -183.428529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.428529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.428529 (E_RNA)
where:
Base-Base interactions energy: -57.172
where: short stacking energy: -54.113
Base-Backbone interact. energy: 0.537
local terms energy: -126.793271
where:
bonds (distance) C4'-P energy: -37.190
bonds (distance) P-C4' energy: -42.809
flat angles C4'-P-C4' energy: -22.187
flat angles P-C4'-P energy: -24.172
tors. eta vs tors. theta energy: -0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -648.804057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.804057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.804057 (E_RNA)
where:
Base-Base interactions energy: -422.519
where: short stacking energy: -189.762
Base-Backbone interact. energy: -0.903
local terms energy: -225.382025
where:
bonds (distance) C4'-P energy: -36.342
bonds (distance) P-C4' energy: -51.652
flat angles C4'-P-C4' energy: -50.322
flat angles P-C4'-P energy: -36.348
tors. eta vs tors. theta energy: -50.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -640.920768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.920768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.920768 (E_RNA)
where:
Base-Base interactions energy: -425.781
where: short stacking energy: -191.084
Base-Backbone interact. energy: -0.271
local terms energy: -214.868999
where:
bonds (distance) C4'-P energy: -44.664
bonds (distance) P-C4' energy: -41.171
flat angles C4'-P-C4' energy: -47.217
flat angles P-C4'-P energy: -26.865
tors. eta vs tors. theta energy: -54.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -583.556475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.556475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.556475 (E_RNA)
where:
Base-Base interactions energy: -370.552
where: short stacking energy: -181.845
Base-Backbone interact. energy: -0.257
local terms energy: -212.747455
where:
bonds (distance) C4'-P energy: -32.813
bonds (distance) P-C4' energy: -39.972
flat angles C4'-P-C4' energy: -49.579
flat angles P-C4'-P energy: -30.285
tors. eta vs tors. theta energy: -60.099
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: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -503.930458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.930458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.930458 (E_RNA)
where:
Base-Base interactions energy: -314.724
where: short stacking energy: -148.973
Base-Backbone interact. energy: -0.194
local terms energy: -189.013250
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -46.307
flat angles C4'-P-C4' energy: -37.860
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -40.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -467.615290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.615290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.615290 (E_RNA)
where:
Base-Base interactions energy: -274.683
where: short stacking energy: -112.651
Base-Backbone interact. energy: -0.142
local terms energy: -192.789992
where:
bonds (distance) C4'-P energy: -46.090
bonds (distance) P-C4' energy: -39.092
flat angles C4'-P-C4' energy: -45.574
flat angles P-C4'-P energy: -30.120
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: 304
Temperature: 1.150000
Total energy: -474.483401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.483401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.483401 (E_RNA)
where:
Base-Base interactions energy: -295.775
where: short stacking energy: -130.375
Base-Backbone interact. energy: -1.450
local terms energy: -177.258671
where:
bonds (distance) C4'-P energy: -28.908
bonds (distance) P-C4' energy: -39.759
flat angles C4'-P-C4' energy: -42.908
flat angles P-C4'-P energy: -28.549
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: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -381.990706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.990706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.990706 (E_RNA)
where:
Base-Base interactions energy: -217.416
where: short stacking energy: -133.320
Base-Backbone interact. energy: 0.184
local terms energy: -164.758048
where:
bonds (distance) C4'-P energy: -33.613
bonds (distance) P-C4' energy: -40.812
flat angles C4'-P-C4' energy: -35.382
flat angles P-C4'-P energy: -23.731
tors. eta vs tors. theta energy: -31.220
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: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -230.298731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.298731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.298731 (E_RNA)
where:
Base-Base interactions energy: -99.607
where: short stacking energy: -66.090
Base-Backbone interact. energy: -0.506
local terms energy: -130.186440
where:
bonds (distance) C4'-P energy: -33.442
bonds (distance) P-C4' energy: -31.887
flat angles C4'-P-C4' energy: -40.586
flat angles P-C4'-P energy: -23.804
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -181.453639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.453639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.453639 (E_RNA)
where:
Base-Base interactions energy: -70.449
where: short stacking energy: -68.503
Base-Backbone interact. energy: -0.919
local terms energy: -110.086036
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -28.510
flat angles C4'-P-C4' energy: -28.165
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: 1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -213.974033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.974033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.974033 (E_RNA)
where:
Base-Base interactions energy: -78.140
where: short stacking energy: -55.670
Base-Backbone interact. energy: -0.034
local terms energy: -135.799467
where:
bonds (distance) C4'-P energy: -43.123
bonds (distance) P-C4' energy: -39.504
flat angles C4'-P-C4' energy: -32.142
flat angles P-C4'-P energy: -25.424
tors. eta vs tors. theta energy: 4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -640.920400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.920400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.920400 (E_RNA)
where:
Base-Base interactions energy: -422.245
where: short stacking energy: -198.508
Base-Backbone interact. energy: -0.999
local terms energy: -217.676390
where:
bonds (distance) C4'-P energy: -43.591
bonds (distance) P-C4' energy: -42.893
flat angles C4'-P-C4' energy: -50.502
flat angles P-C4'-P energy: -25.642
tors. eta vs tors. theta energy: -55.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -644.316781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.316781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.316781 (E_RNA)
where:
Base-Base interactions energy: -418.083
where: short stacking energy: -202.495
Base-Backbone interact. energy: -0.460
local terms energy: -225.773926
where:
bonds (distance) C4'-P energy: -42.982
bonds (distance) P-C4' energy: -40.512
flat angles C4'-P-C4' energy: -48.528
flat angles P-C4'-P energy: -30.498
tors. eta vs tors. theta energy: -63.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -575.709639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.709639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.709639 (E_RNA)
where:
Base-Base interactions energy: -360.038
where: short stacking energy: -178.103
Base-Backbone interact. energy: -0.018
local terms energy: -215.653608
where:
bonds (distance) C4'-P energy: -41.252
bonds (distance) P-C4' energy: -40.904
flat angles C4'-P-C4' energy: -47.073
flat angles P-C4'-P energy: -28.959
tors. eta vs tors. theta energy: -57.466
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: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -509.778601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.778601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.778601 (E_RNA)
where:
Base-Base interactions energy: -332.015
where: short stacking energy: -168.556
Base-Backbone interact. energy: 0.340
local terms energy: -178.103320
where:
bonds (distance) C4'-P energy: -35.497
bonds (distance) P-C4' energy: -31.705
flat angles C4'-P-C4' energy: -49.169
flat angles P-C4'-P energy: -17.183
tors. eta vs tors. theta energy: -44.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -477.057034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.057034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.057034 (E_RNA)
where:
Base-Base interactions energy: -293.198
where: short stacking energy: -139.051
Base-Backbone interact. energy: -0.175
local terms energy: -183.684476
where:
bonds (distance) C4'-P energy: -37.692
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -42.066
flat angles P-C4'-P energy: -32.677
tors. eta vs tors. theta energy: -33.383
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: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -437.705328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.705328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.705328 (E_RNA)
where:
Base-Base interactions energy: -274.944
where: short stacking energy: -134.859
Base-Backbone interact. energy: -0.394
local terms energy: -162.367745
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -40.929
flat angles C4'-P-C4' energy: -39.062
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -27.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -362.395757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.395757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.395757 (E_RNA)
where:
Base-Base interactions energy: -197.972
where: short stacking energy: -103.455
Base-Backbone interact. energy: 1.326
local terms energy: -165.749646
where:
bonds (distance) C4'-P energy: -40.595
bonds (distance) P-C4' energy: -39.086
flat angles C4'-P-C4' energy: -36.967
flat angles P-C4'-P energy: -23.167
tors. eta vs tors. theta energy: -25.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -230.900923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.900923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.900923 (E_RNA)
where:
Base-Base interactions energy: -107.122
where: short stacking energy: -58.905
Base-Backbone interact. energy: -1.748
local terms energy: -122.030725
where:
bonds (distance) C4'-P energy: -36.419
bonds (distance) P-C4' energy: -38.439
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -187.048771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.048771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.048771 (E_RNA)
where:
Base-Base interactions energy: -62.205
where: short stacking energy: -60.865
Base-Backbone interact. energy: 1.916
local terms energy: -126.760037
where:
bonds (distance) C4'-P energy: -29.349
bonds (distance) P-C4' energy: -35.642
flat angles C4'-P-C4' energy: -41.186
flat angles P-C4'-P energy: -19.040
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -200.084608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.084608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.084608 (E_RNA)
where:
Base-Base interactions energy: -66.531
where: short stacking energy: -63.899
Base-Backbone interact. energy: -0.506
local terms energy: -133.047522
where:
bonds (distance) C4'-P energy: -31.083
bonds (distance) P-C4' energy: -39.664
flat angles C4'-P-C4' energy: -34.097
flat angles P-C4'-P energy: -27.885
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: 1, replica: 5
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -654.881461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.881461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.881461 (E_RNA)
where:
Base-Base interactions energy: -431.974
where: short stacking energy: -206.262
Base-Backbone interact. energy: -0.106
local terms energy: -222.800901
where:
bonds (distance) C4'-P energy: -42.323
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -49.460
flat angles P-C4'-P energy: -27.274
tors. eta vs tors. theta energy: -60.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -637.144439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.144439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.144439 (E_RNA)
where:
Base-Base interactions energy: -413.268
where: short stacking energy: -190.094
Base-Backbone interact. energy: -0.475
local terms energy: -223.400872
where:
bonds (distance) C4'-P energy: -41.329
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -50.543
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -56.506
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: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -600.359158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.359158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.359158 (E_RNA)
where:
Base-Base interactions energy: -389.413
where: short stacking energy: -191.173
Base-Backbone interact. energy: 0.086
local terms energy: -211.031884
where:
bonds (distance) C4'-P energy: -38.830
bonds (distance) P-C4' energy: -49.727
flat angles C4'-P-C4' energy: -45.590
flat angles P-C4'-P energy: -24.759
tors. eta vs tors. theta energy: -52.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -481.803538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.803538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.803538 (E_RNA)
where:
Base-Base interactions energy: -301.294
where: short stacking energy: -145.823
Base-Backbone interact. energy: -1.182
local terms energy: -179.327367
where:
bonds (distance) C4'-P energy: -34.804
bonds (distance) P-C4' energy: -39.304
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -38.578
tors. eta vs tors. theta energy: -36.432
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: 7
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -482.681880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.681880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.681880 (E_RNA)
where:
Base-Base interactions energy: -295.317
where: short stacking energy: -145.630
Base-Backbone interact. energy: -0.816
local terms energy: -186.549208
where:
bonds (distance) C4'-P energy: -34.524
bonds (distance) P-C4' energy: -42.728
flat angles C4'-P-C4' energy: -44.726
flat angles P-C4'-P energy: -26.767
tors. eta vs tors. theta energy: -37.804
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: 306
Temperature: 1.150000
Total energy: -438.067689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.067689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.067689 (E_RNA)
where:
Base-Base interactions energy: -266.162
where: short stacking energy: -126.758
Base-Backbone interact. energy: -0.573
local terms energy: -171.333050
where:
bonds (distance) C4'-P energy: -40.578
bonds (distance) P-C4' energy: -36.688
flat angles C4'-P-C4' energy: -32.440
flat angles P-C4'-P energy: -29.926
tors. eta vs tors. theta energy: -31.701
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: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -358.221177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.221177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.221177 (E_RNA)
where:
Base-Base interactions energy: -194.436
where: short stacking energy: -106.318
Base-Backbone interact. energy: 0.185
local terms energy: -163.969444
where:
bonds (distance) C4'-P energy: -33.212
bonds (distance) P-C4' energy: -44.626
flat angles C4'-P-C4' energy: -37.104
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -25.216
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: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -202.322740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.322740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.322740 (E_RNA)
where:
Base-Base interactions energy: -73.255
where: short stacking energy: -66.654
Base-Backbone interact. energy: 0.889
local terms energy: -129.957407
where:
bonds (distance) C4'-P energy: -29.964
bonds (distance) P-C4' energy: -37.519
flat angles C4'-P-C4' energy: -36.503
flat angles P-C4'-P energy: -24.252
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -186.447645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.447645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.447645 (E_RNA)
where:
Base-Base interactions energy: -53.609
where: short stacking energy: -52.543
Base-Backbone interact. energy: 0.082
local terms energy: -132.920905
where:
bonds (distance) C4'-P energy: -43.197
bonds (distance) P-C4' energy: -43.486
flat angles C4'-P-C4' energy: -40.602
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: 10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -175.867342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.867342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.867342 (E_RNA)
where:
Base-Base interactions energy: -52.571
where: short stacking energy: -48.225
Base-Backbone interact. energy: -0.645
local terms energy: -122.651960
where:
bonds (distance) C4'-P energy: -24.992
bonds (distance) P-C4' energy: -45.733
flat angles C4'-P-C4' energy: -34.328
flat angles P-C4'-P energy: -24.656
tors. eta vs tors. theta energy: 7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -667.478126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.478126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.478126 (E_RNA)
where:
Base-Base interactions energy: -430.355
where: short stacking energy: -218.350
Base-Backbone interact. energy: -0.580
local terms energy: -236.542930
where:
bonds (distance) C4'-P energy: -47.313
bonds (distance) P-C4' energy: -46.204
flat angles C4'-P-C4' energy: -48.853
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: -62.628
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: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -629.150724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.150724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.150724 (E_RNA)
where:
Base-Base interactions energy: -419.652
where: short stacking energy: -195.339
Base-Backbone interact. energy: -0.488
local terms energy: -209.010888
where:
bonds (distance) C4'-P energy: -43.911
bonds (distance) P-C4' energy: -37.698
flat angles C4'-P-C4' energy: -40.278
flat angles P-C4'-P energy: -30.980
tors. eta vs tors. theta energy: -56.143
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: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -602.037556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.037556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.037556 (E_RNA)
where:
Base-Base interactions energy: -390.680
where: short stacking energy: -187.265
Base-Backbone interact. energy: 0.931
local terms energy: -212.288967
where:
bonds (distance) C4'-P energy: -38.853
bonds (distance) P-C4' energy: -38.568
flat angles C4'-P-C4' energy: -44.983
flat angles P-C4'-P energy: -33.389
tors. eta vs tors. theta energy: -56.496
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: 4, replica: 7
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -521.247066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.247066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.247066 (E_RNA)
where:
Base-Base interactions energy: -329.364
where: short stacking energy: -165.074
Base-Backbone interact. energy: -0.426
local terms energy: -191.457067
where:
bonds (distance) C4'-P energy: -46.963
bonds (distance) P-C4' energy: -44.926
flat angles C4'-P-C4' energy: -38.832
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -40.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -469.540475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.540475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.540475 (E_RNA)
where:
Base-Base interactions energy: -293.074
where: short stacking energy: -153.794
Base-Backbone interact. energy: -0.905
local terms energy: -175.561462
where:
bonds (distance) C4'-P energy: -29.768
bonds (distance) P-C4' energy: -32.449
flat angles C4'-P-C4' energy: -40.391
flat angles P-C4'-P energy: -28.543
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: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -451.087578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.087578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.087578 (E_RNA)
where:
Base-Base interactions energy: -276.805
where: short stacking energy: -136.519
Base-Backbone interact. energy: 4.303
local terms energy: -178.585608
where:
bonds (distance) C4'-P energy: -45.796
bonds (distance) P-C4' energy: -30.954
flat angles C4'-P-C4' energy: -39.639
flat angles P-C4'-P energy: -23.769
tors. eta vs tors. theta energy: -38.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -394.497804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.497804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.497804 (E_RNA)
where:
Base-Base interactions energy: -234.724
where: short stacking energy: -114.972
Base-Backbone interact. energy: -0.164
local terms energy: -159.609721
where:
bonds (distance) C4'-P energy: -39.726
bonds (distance) P-C4' energy: -31.552
flat angles C4'-P-C4' energy: -33.263
flat angles P-C4'-P energy: -28.685
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: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -223.057659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.057659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.057659 (E_RNA)
where:
Base-Base interactions energy: -77.260
where: short stacking energy: -64.863
Base-Backbone interact. energy: -0.631
local terms energy: -145.166815
where:
bonds (distance) C4'-P energy: -35.262
bonds (distance) P-C4' energy: -45.141
flat angles C4'-P-C4' energy: -38.157
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -4.996
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: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -190.873744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.873744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.873744 (E_RNA)
where:
Base-Base interactions energy: -72.361
where: short stacking energy: -63.074
Base-Backbone interact. energy: -1.002
local terms energy: -117.510521
where:
bonds (distance) C4'-P energy: -33.606
bonds (distance) P-C4' energy: -41.753
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: 1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -178.395869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.395869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.395869 (E_RNA)
where:
Base-Base interactions energy: -58.719
where: short stacking energy: -49.281
Base-Backbone interact. energy: -0.985
local terms energy: -118.692122
where:
bonds (distance) C4'-P energy: -37.560
bonds (distance) P-C4' energy: -33.884
flat angles C4'-P-C4' energy: -35.407
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: 6.704
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: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -652.280717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.280717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.280717 (E_RNA)
where:
Base-Base interactions energy: -428.013
where: short stacking energy: -211.421
Base-Backbone interact. energy: -0.030
local terms energy: -224.238013
where:
bonds (distance) C4'-P energy: -40.860
bonds (distance) P-C4' energy: -43.630
flat angles C4'-P-C4' energy: -42.468
flat angles P-C4'-P energy: -34.485
tors. eta vs tors. theta energy: -62.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -620.109947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.109947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.109947 (E_RNA)
where:
Base-Base interactions energy: -408.334
where: short stacking energy: -192.024
Base-Backbone interact. energy: 0.332
local terms energy: -212.108210
where:
bonds (distance) C4'-P energy: -42.068
bonds (distance) P-C4' energy: -38.624
flat angles C4'-P-C4' energy: -44.077
flat angles P-C4'-P energy: -35.136
tors. eta vs tors. theta energy: -52.204
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: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -585.760265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.760265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.760265 (E_RNA)
where:
Base-Base interactions energy: -390.626
where: short stacking energy: -177.217
Base-Backbone interact. energy: -0.513
local terms energy: -194.621191
where:
bonds (distance) C4'-P energy: -33.167
bonds (distance) P-C4' energy: -41.825
flat angles C4'-P-C4' energy: -42.081
flat angles P-C4'-P energy: -33.491
tors. eta vs tors. theta energy: -44.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -522.361833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.361833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.361833 (E_RNA)
where:
Base-Base interactions energy: -323.175
where: short stacking energy: -164.159
Base-Backbone interact. energy: -0.046
local terms energy: -199.140695
where:
bonds (distance) C4'-P energy: -37.918
bonds (distance) P-C4' energy: -43.689
flat angles C4'-P-C4' energy: -43.243
flat angles P-C4'-P energy: -25.825
tors. eta vs tors. theta energy: -48.465
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: 4
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -460.365510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.365510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.365510 (E_RNA)
where:
Base-Base interactions energy: -281.477
where: short stacking energy: -133.727
Base-Backbone interact. energy: -0.912
local terms energy: -177.977001
where:
bonds (distance) C4'-P energy: -40.758
bonds (distance) P-C4' energy: -42.300
flat angles C4'-P-C4' energy: -34.150
flat angles P-C4'-P energy: -19.539
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: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -448.886220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.886220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.886220 (E_RNA)
where:
Base-Base interactions energy: -270.700
where: short stacking energy: -126.949
Base-Backbone interact. energy: 0.750
local terms energy: -178.937060
where:
bonds (distance) C4'-P energy: -40.801
bonds (distance) P-C4' energy: -34.021
flat angles C4'-P-C4' energy: -40.596
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -34.615
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: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -417.040152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.040152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.040152 (E_RNA)
where:
Base-Base interactions energy: -245.870
where: short stacking energy: -148.438
Base-Backbone interact. energy: -0.105
local terms energy: -171.065553
where:
bonds (distance) C4'-P energy: -41.125
bonds (distance) P-C4' energy: -34.529
flat angles C4'-P-C4' energy: -37.190
flat angles P-C4'-P energy: -27.914
tors. eta vs tors. theta energy: -30.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -207.610761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.610761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.610761 (E_RNA)
where:
Base-Base interactions energy: -67.789
where: short stacking energy: -53.132
Base-Backbone interact. energy: -1.340
local terms energy: -138.481548
where:
bonds (distance) C4'-P energy: -34.401
bonds (distance) P-C4' energy: -42.566
flat angles C4'-P-C4' energy: -38.149
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -210.657653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.657653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.657653 (E_RNA)
where:
Base-Base interactions energy: -71.976
where: short stacking energy: -71.976
Base-Backbone interact. energy: -0.895
local terms energy: -137.786930
where:
bonds (distance) C4'-P energy: -38.657
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -34.896
flat angles P-C4'-P energy: -21.319
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -168.571738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.571738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.571738 (E_RNA)
where:
Base-Base interactions energy: -58.281
where: short stacking energy: -45.372
Base-Backbone interact. energy: -0.225
local terms energy: -110.066422
where:
bonds (distance) C4'-P energy: -34.878
bonds (distance) P-C4' energy: -38.913
flat angles C4'-P-C4' energy: -31.734
flat angles P-C4'-P energy: -10.397
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: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -662.646069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.646069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.646069 (E_RNA)
where:
Base-Base interactions energy: -432.828
where: short stacking energy: -211.399
Base-Backbone interact. energy: -0.267
local terms energy: -229.550265
where:
bonds (distance) C4'-P energy: -40.897
bonds (distance) P-C4' energy: -43.940
flat angles C4'-P-C4' energy: -45.943
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -62.158
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: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -618.861482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.861482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.861482 (E_RNA)
where:
Base-Base interactions energy: -396.142
where: short stacking energy: -195.907
Base-Backbone interact. energy: -0.299
local terms energy: -222.420768
where:
bonds (distance) C4'-P energy: -41.705
bonds (distance) P-C4' energy: -41.071
flat angles C4'-P-C4' energy: -48.201
flat angles P-C4'-P energy: -37.448
tors. eta vs tors. theta energy: -53.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -581.436621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.436621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.436621 (E_RNA)
where:
Base-Base interactions energy: -378.088
where: short stacking energy: -166.850
Base-Backbone interact. energy: -0.416
local terms energy: -202.932590
where:
bonds (distance) C4'-P energy: -33.169
bonds (distance) P-C4' energy: -44.318
flat angles C4'-P-C4' energy: -44.723
flat angles P-C4'-P energy: -30.432
tors. eta vs tors. theta energy: -50.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -488.378580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.378580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.378580 (E_RNA)
where:
Base-Base interactions energy: -310.570
where: short stacking energy: -153.680
Base-Backbone interact. energy: -0.536
local terms energy: -177.272782
where:
bonds (distance) C4'-P energy: -29.480
bonds (distance) P-C4' energy: -33.469
flat angles C4'-P-C4' energy: -43.969
flat angles P-C4'-P energy: -28.589
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: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -458.226151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.226151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.226151 (E_RNA)
where:
Base-Base interactions energy: -273.604
where: short stacking energy: -134.183
Base-Backbone interact. energy: -0.494
local terms energy: -184.127724
where:
bonds (distance) C4'-P energy: -42.272
bonds (distance) P-C4' energy: -37.916
flat angles C4'-P-C4' energy: -44.638
flat angles P-C4'-P energy: -24.235
tors. eta vs tors. theta energy: -35.067
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: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -436.784689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.784689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.784689 (E_RNA)
where:
Base-Base interactions energy: -253.912
where: short stacking energy: -121.402
Base-Backbone interact. energy: -0.589
local terms energy: -182.283677
where:
bonds (distance) C4'-P energy: -40.051
bonds (distance) P-C4' energy: -39.593
flat angles C4'-P-C4' energy: -39.874
flat angles P-C4'-P energy: -33.231
tors. eta vs tors. theta energy: -29.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -389.882500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.882500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.882500 (E_RNA)
where:
Base-Base interactions energy: -220.192
where: short stacking energy: -110.404
Base-Backbone interact. energy: -0.049
local terms energy: -169.641532
where:
bonds (distance) C4'-P energy: -41.422
bonds (distance) P-C4' energy: -43.801
flat angles C4'-P-C4' energy: -35.710
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: -26.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -207.834232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.834232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.834232 (E_RNA)
where:
Base-Base interactions energy: -81.360
where: short stacking energy: -51.153
Base-Backbone interact. energy: -0.858
local terms energy: -125.616437
where:
bonds (distance) C4'-P energy: -36.409
bonds (distance) P-C4' energy: -38.630
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: 5.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -196.525227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.525227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.525227 (E_RNA)
where:
Base-Base interactions energy: -63.495
where: short stacking energy: -40.037
Base-Backbone interact. energy: 0.965
local terms energy: -133.994780
where:
bonds (distance) C4'-P energy: -36.369
bonds (distance) P-C4' energy: -42.861
flat angles C4'-P-C4' energy: -38.305
flat angles P-C4'-P energy: -23.432
tors. eta vs tors. theta energy: 6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -190.314437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.314437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.314437 (E_RNA)
where:
Base-Base interactions energy: -72.138
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.734
local terms energy: -117.441775
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -36.937
flat angles C4'-P-C4' energy: -27.296
flat angles P-C4'-P energy: -16.913
tors. eta vs tors. theta energy: 1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -664.462610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.462610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.462610 (E_RNA)
where:
Base-Base interactions energy: -443.846
where: short stacking energy: -216.239
Base-Backbone interact. energy: 0.527
local terms energy: -221.142823
where:
bonds (distance) C4'-P energy: -40.945
bonds (distance) P-C4' energy: -35.040
flat angles C4'-P-C4' energy: -50.382
flat angles P-C4'-P energy: -31.108
tors. eta vs tors. theta energy: -63.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -616.910518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.910518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.910518 (E_RNA)
where:
Base-Base interactions energy: -406.694
where: short stacking energy: -178.399
Base-Backbone interact. energy: -0.277
local terms energy: -209.939524
where:
bonds (distance) C4'-P energy: -32.382
bonds (distance) P-C4' energy: -43.094
flat angles C4'-P-C4' energy: -50.937
flat angles P-C4'-P energy: -29.797
tors. eta vs tors. theta energy: -53.728
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: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -568.164537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.164537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.164537 (E_RNA)
where:
Base-Base interactions energy: -368.404
where: short stacking energy: -172.754
Base-Backbone interact. energy: -0.915
local terms energy: -198.845475
where:
bonds (distance) C4'-P energy: -41.978
bonds (distance) P-C4' energy: -39.603
flat angles C4'-P-C4' energy: -35.479
flat angles P-C4'-P energy: -35.213
tors. eta vs tors. theta energy: -46.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -485.415146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.415146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.415146 (E_RNA)
where:
Base-Base interactions energy: -302.205
where: short stacking energy: -149.422
Base-Backbone interact. energy: -1.237
local terms energy: -181.972994
where:
bonds (distance) C4'-P energy: -36.739
bonds (distance) P-C4' energy: -38.365
flat angles C4'-P-C4' energy: -38.758
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: -38.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -480.931006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.931006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.931006 (E_RNA)
where:
Base-Base interactions energy: -279.872
where: short stacking energy: -142.454
Base-Backbone interact. energy: -0.610
local terms energy: -200.448092
where:
bonds (distance) C4'-P energy: -47.645
bonds (distance) P-C4' energy: -36.861
flat angles C4'-P-C4' energy: -43.814
flat angles P-C4'-P energy: -30.805
tors. eta vs tors. theta energy: -41.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -441.675996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.675996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.675996 (E_RNA)
where:
Base-Base interactions energy: -277.278
where: short stacking energy: -139.494
Base-Backbone interact. energy: 1.265
local terms energy: -165.663177
where:
bonds (distance) C4'-P energy: -34.599
bonds (distance) P-C4' energy: -39.661
flat angles C4'-P-C4' energy: -39.183
flat angles P-C4'-P energy: -19.061
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: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -347.785295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.785295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.785295 (E_RNA)
where:
Base-Base interactions energy: -193.845
where: short stacking energy: -89.349
Base-Backbone interact. energy: -0.860
local terms energy: -153.079747
where:
bonds (distance) C4'-P energy: -37.033
bonds (distance) P-C4' energy: -31.454
flat angles C4'-P-C4' energy: -39.130
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -18.615
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: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -208.689900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.689900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.689900 (E_RNA)
where:
Base-Base interactions energy: -82.746
where: short stacking energy: -60.138
Base-Backbone interact. energy: -0.854
local terms energy: -125.090312
where:
bonds (distance) C4'-P energy: -33.908
bonds (distance) P-C4' energy: -39.113
flat angles C4'-P-C4' energy: -42.045
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: 5.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -193.426560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.426560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.426560 (E_RNA)
where:
Base-Base interactions energy: -74.282
where: short stacking energy: -50.091
Base-Backbone interact. energy: 5.567
local terms energy: -124.712157
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -36.572
flat angles C4'-P-C4' energy: -45.540
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -185.757069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.757069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.757069 (E_RNA)
where:
Base-Base interactions energy: -59.117
where: short stacking energy: -52.090
Base-Backbone interact. energy: 0.755
local terms energy: -127.394987
where:
bonds (distance) C4'-P energy: -41.509
bonds (distance) P-C4' energy: -33.382
flat angles C4'-P-C4' energy: -32.131
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: 3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -664.401075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.401075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.401075 (E_RNA)
where:
Base-Base interactions energy: -429.536
where: short stacking energy: -209.779
Base-Backbone interact. energy: -0.760
local terms energy: -234.104864
where:
bonds (distance) C4'-P energy: -37.370
bonds (distance) P-C4' energy: -43.505
flat angles C4'-P-C4' energy: -49.495
flat angles P-C4'-P energy: -36.291
tors. eta vs tors. theta energy: -67.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -631.047817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.047817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.047817 (E_RNA)
where:
Base-Base interactions energy: -410.560
where: short stacking energy: -194.620
Base-Backbone interact. energy: -0.380
local terms energy: -220.107964
where:
bonds (distance) C4'-P energy: -38.372
bonds (distance) P-C4' energy: -46.516
flat angles C4'-P-C4' energy: -49.046
flat angles P-C4'-P energy: -32.723
tors. eta vs tors. theta energy: -53.450
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: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -567.630545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.630545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.630545 (E_RNA)
where:
Base-Base interactions energy: -369.970
where: short stacking energy: -182.664
Base-Backbone interact. energy: -0.357
local terms energy: -197.303549
where:
bonds (distance) C4'-P energy: -36.603
bonds (distance) P-C4' energy: -36.182
flat angles C4'-P-C4' energy: -45.599
flat angles P-C4'-P energy: -29.415
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: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -487.131809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.131809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.131809 (E_RNA)
where:
Base-Base interactions energy: -289.855
where: short stacking energy: -133.301
Base-Backbone interact. energy: -0.189
local terms energy: -197.088472
where:
bonds (distance) C4'-P energy: -44.948
bonds (distance) P-C4' energy: -40.514
flat angles C4'-P-C4' energy: -42.886
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -41.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -478.683506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.683506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.683506 (E_RNA)
where:
Base-Base interactions energy: -300.220
where: short stacking energy: -127.770
Base-Backbone interact. energy: 0.843
local terms energy: -179.306535
where:
bonds (distance) C4'-P energy: -36.829
bonds (distance) P-C4' energy: -44.541
flat angles C4'-P-C4' energy: -37.406
flat angles P-C4'-P energy: -27.015
tors. eta vs tors. theta energy: -33.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -422.895520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.895520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.895520 (E_RNA)
where:
Base-Base interactions energy: -244.866
where: short stacking energy: -137.625
Base-Backbone interact. energy: 0.151
local terms energy: -178.180171
where:
bonds (distance) C4'-P energy: -37.859
bonds (distance) P-C4' energy: -38.314
flat angles C4'-P-C4' energy: -40.453
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: -37.240
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: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -405.699068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.699068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.699068 (E_RNA)
where:
Base-Base interactions energy: -256.435
where: short stacking energy: -119.194
Base-Backbone interact. energy: -0.472
local terms energy: -148.792637
where:
bonds (distance) C4'-P energy: -39.580
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -43.854
flat angles P-C4'-P energy: -15.996
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: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -230.287912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.287912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.287912 (E_RNA)
where:
Base-Base interactions energy: -96.045
where: short stacking energy: -70.139
Base-Backbone interact. energy: -0.320
local terms energy: -133.923155
where:
bonds (distance) C4'-P energy: -37.398
bonds (distance) P-C4' energy: -35.617
flat angles C4'-P-C4' energy: -31.518
flat angles P-C4'-P energy: -29.056
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -195.664797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.664797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.664797 (E_RNA)
where:
Base-Base interactions energy: -56.565
where: short stacking energy: -44.395
Base-Backbone interact. energy: -0.311
local terms energy: -138.788350
where:
bonds (distance) C4'-P energy: -46.111
bonds (distance) P-C4' energy: -42.350
flat angles C4'-P-C4' energy: -27.652
flat angles P-C4'-P energy: -24.139
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: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -178.352990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.352990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.352990 (E_RNA)
where:
Base-Base interactions energy: -50.555
where: short stacking energy: -50.555
Base-Backbone interact. energy: -0.546
local terms energy: -127.251451
where:
bonds (distance) C4'-P energy: -29.195
bonds (distance) P-C4' energy: -38.621
flat angles C4'-P-C4' energy: -35.155
flat angles P-C4'-P energy: -26.237
tors. eta vs tors. theta energy: 1.956
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: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -667.538619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.538619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.538619 (E_RNA)
where:
Base-Base interactions energy: -436.359
where: short stacking energy: -215.912
Base-Backbone interact. energy: -1.918
local terms energy: -229.261790
where:
bonds (distance) C4'-P energy: -42.239
bonds (distance) P-C4' energy: -41.529
flat angles C4'-P-C4' energy: -49.736
flat angles P-C4'-P energy: -33.169
tors. eta vs tors. theta energy: -62.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -619.975447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.975447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.975447 (E_RNA)
where:
Base-Base interactions energy: -404.474
where: short stacking energy: -179.309
Base-Backbone interact. energy: -1.126
local terms energy: -214.375913
where:
bonds (distance) C4'-P energy: -42.581
bonds (distance) P-C4' energy: -45.470
flat angles C4'-P-C4' energy: -47.795
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -51.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -498.435268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.435268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.435268 (E_RNA)
where:
Base-Base interactions energy: -299.560
where: short stacking energy: -161.608
Base-Backbone interact. energy: 0.998
local terms energy: -199.873193
where:
bonds (distance) C4'-P energy: -44.044
bonds (distance) P-C4' energy: -43.173
flat angles C4'-P-C4' energy: -45.352
flat angles P-C4'-P energy: -25.980
tors. eta vs tors. theta energy: -41.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -572.801430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.801430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.801430 (E_RNA)
where:
Base-Base interactions energy: -362.595
where: short stacking energy: -188.729
Base-Backbone interact. energy: -0.146
local terms energy: -210.060664
where:
bonds (distance) C4'-P energy: -37.738
bonds (distance) P-C4' energy: -43.691
flat angles C4'-P-C4' energy: -47.072
flat angles P-C4'-P energy: -28.936
tors. eta vs tors. theta energy: -52.624
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: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -502.871710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.871710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.871710 (E_RNA)
where:
Base-Base interactions energy: -310.662
where: short stacking energy: -146.896
Base-Backbone interact. energy: -0.764
local terms energy: -191.445406
where:
bonds (distance) C4'-P energy: -43.914
bonds (distance) P-C4' energy: -42.971
flat angles C4'-P-C4' energy: -43.432
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -38.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -391.710050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.710050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.710050 (E_RNA)
where:
Base-Base interactions energy: -226.197
where: short stacking energy: -102.428
Base-Backbone interact. energy: -0.289
local terms energy: -165.223312
where:
bonds (distance) C4'-P energy: -33.255
bonds (distance) P-C4' energy: -43.560
flat angles C4'-P-C4' energy: -39.102
flat angles P-C4'-P energy: -25.877
tors. eta vs tors. theta energy: -23.429
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: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -381.032231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.032231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.032231 (E_RNA)
where:
Base-Base interactions energy: -215.777
where: short stacking energy: -120.699
Base-Backbone interact. energy: -0.440
local terms energy: -164.815126
where:
bonds (distance) C4'-P energy: -29.968
bonds (distance) P-C4' energy: -45.909
flat angles C4'-P-C4' energy: -39.417
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -28.165
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: 312
Temperature: 1.250000
Total energy: -208.259680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.259680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.259680 (E_RNA)
where:
Base-Base interactions energy: -66.364
where: short stacking energy: -66.364
Base-Backbone interact. energy: -0.036
local terms energy: -141.859442
where:
bonds (distance) C4'-P energy: -40.627
bonds (distance) P-C4' energy: -37.732
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -23.898
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -212.286873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.286873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.286873 (E_RNA)
where:
Base-Base interactions energy: -87.972
where: short stacking energy: -75.202
Base-Backbone interact. energy: 0.480
local terms energy: -124.794338
where:
bonds (distance) C4'-P energy: -36.821
bonds (distance) P-C4' energy: -29.530
flat angles C4'-P-C4' energy: -31.731
flat angles P-C4'-P energy: -23.709
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -187.155107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.155107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.155107 (E_RNA)
where:
Base-Base interactions energy: -59.982
where: short stacking energy: -55.792
Base-Backbone interact. energy: -0.653
local terms energy: -126.519975
where:
bonds (distance) C4'-P energy: -31.737
bonds (distance) P-C4' energy: -40.507
flat angles C4'-P-C4' energy: -35.623
flat angles P-C4'-P energy: -21.494
tors. eta vs tors. theta energy: 2.841
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: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -659.847309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.847309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.847309 (E_RNA)
where:
Base-Base interactions energy: -441.979
where: short stacking energy: -222.439
Base-Backbone interact. energy: 2.200
local terms energy: -220.068211
where:
bonds (distance) C4'-P energy: -33.263
bonds (distance) P-C4' energy: -43.956
flat angles C4'-P-C4' energy: -43.585
flat angles P-C4'-P energy: -36.532
tors. eta vs tors. theta energy: -62.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -617.911001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.911001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.911001 (E_RNA)
where:
Base-Base interactions energy: -400.853
where: short stacking energy: -181.076
Base-Backbone interact. energy: -0.297
local terms energy: -216.761247
where:
bonds (distance) C4'-P energy: -34.984
bonds (distance) P-C4' energy: -44.490
flat angles C4'-P-C4' energy: -46.869
flat angles P-C4'-P energy: -34.565
tors. eta vs tors. theta energy: -55.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -525.567972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.567972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.567972 (E_RNA)
where:
Base-Base interactions energy: -323.567
where: short stacking energy: -176.855
Base-Backbone interact. energy: -0.351
local terms energy: -201.649818
where:
bonds (distance) C4'-P energy: -46.905
bonds (distance) P-C4' energy: -34.717
flat angles C4'-P-C4' energy: -43.604
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -53.131
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: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -573.929922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.929922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.929922 (E_RNA)
where:
Base-Base interactions energy: -377.326
where: short stacking energy: -159.319
Base-Backbone interact. energy: -0.157
local terms energy: -196.446853
where:
bonds (distance) C4'-P energy: -34.516
bonds (distance) P-C4' energy: -42.929
flat angles C4'-P-C4' energy: -44.487
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -48.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -559.778639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.778639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.778639 (E_RNA)
where:
Base-Base interactions energy: -364.378
where: short stacking energy: -182.755
Base-Backbone interact. energy: -0.047
local terms energy: -195.353731
where:
bonds (distance) C4'-P energy: -31.254
bonds (distance) P-C4' energy: -44.970
flat angles C4'-P-C4' energy: -47.112
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -49.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -369.315510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.315510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.315510 (E_RNA)
where:
Base-Base interactions energy: -201.781
where: short stacking energy: -108.489
Base-Backbone interact. energy: 0.133
local terms energy: -167.667142
where:
bonds (distance) C4'-P energy: -39.476
bonds (distance) P-C4' energy: -41.786
flat angles C4'-P-C4' energy: -35.989
flat angles P-C4'-P energy: -20.322
tors. eta vs tors. theta energy: -30.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -350.297074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.297074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.297074 (E_RNA)
where:
Base-Base interactions energy: -187.643
where: short stacking energy: -94.815
Base-Backbone interact. energy: 0.864
local terms energy: -163.518772
where:
bonds (distance) C4'-P energy: -35.981
bonds (distance) P-C4' energy: -39.698
flat angles C4'-P-C4' energy: -38.357
flat angles P-C4'-P energy: -26.187
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -209.474712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.474712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.474712 (E_RNA)
where:
Base-Base interactions energy: -77.019
where: short stacking energy: -63.049
Base-Backbone interact. energy: 1.083
local terms energy: -133.539030
where:
bonds (distance) C4'-P energy: -43.006
bonds (distance) P-C4' energy: -26.407
flat angles C4'-P-C4' energy: -43.328
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -198.359509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.359509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.359509 (E_RNA)
where:
Base-Base interactions energy: -80.694
where: short stacking energy: -78.610
Base-Backbone interact. energy: 0.186
local terms energy: -117.851563
where:
bonds (distance) C4'-P energy: -32.852
bonds (distance) P-C4' energy: -32.144
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -7.154
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: 10, replica: 6
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -175.834220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.834220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.834220 (E_RNA)
where:
Base-Base interactions energy: -51.541
where: short stacking energy: -51.303
Base-Backbone interact. energy: 2.766
local terms energy: -127.059699
where:
bonds (distance) C4'-P energy: -41.466
bonds (distance) P-C4' energy: -41.911
flat angles C4'-P-C4' energy: -39.593
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: 5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -621.867687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.867687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.867687 (E_RNA)
where:
Base-Base interactions energy: -407.993
where: short stacking energy: -182.555
Base-Backbone interact. energy: -1.306
local terms energy: -212.569634
where:
bonds (distance) C4'-P energy: -43.955
bonds (distance) P-C4' energy: -34.766
flat angles C4'-P-C4' energy: -46.585
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -53.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -644.711500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.711500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.711500 (E_RNA)
where:
Base-Base interactions energy: -412.656
where: short stacking energy: -189.355
Base-Backbone interact. energy: -0.206
local terms energy: -231.849817
where:
bonds (distance) C4'-P energy: -43.016
bonds (distance) P-C4' energy: -48.208
flat angles C4'-P-C4' energy: -46.377
flat angles P-C4'-P energy: -34.463
tors. eta vs tors. theta energy: -59.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -567.012291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.012291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.012291 (E_RNA)
where:
Base-Base interactions energy: -356.539
where: short stacking energy: -160.916
Base-Backbone interact. energy: -0.908
local terms energy: -209.565820
where:
bonds (distance) C4'-P energy: -42.592
bonds (distance) P-C4' energy: -45.895
flat angles C4'-P-C4' energy: -43.040
flat angles P-C4'-P energy: -31.779
tors. eta vs tors. theta energy: -46.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -493.658073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.658073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.658073 (E_RNA)
where:
Base-Base interactions energy: -295.239
where: short stacking energy: -142.577
Base-Backbone interact. energy: -0.034
local terms energy: -198.384926
where:
bonds (distance) C4'-P energy: -41.553
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -45.242
flat angles P-C4'-P energy: -30.477
tors. eta vs tors. theta energy: -41.181
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: 5, replica: 8
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -528.594527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.594527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.594527 (E_RNA)
where:
Base-Base interactions energy: -334.683
where: short stacking energy: -162.990
Base-Backbone interact. energy: -0.379
local terms energy: -193.533317
where:
bonds (distance) C4'-P energy: -35.061
bonds (distance) P-C4' energy: -43.361
flat angles C4'-P-C4' energy: -35.036
flat angles P-C4'-P energy: -31.327
tors. eta vs tors. theta energy: -48.748
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: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -317.039994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.039994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.039994 (E_RNA)
where:
Base-Base interactions energy: -157.089
where: short stacking energy: -96.889
Base-Backbone interact. energy: 0.572
local terms energy: -160.523254
where:
bonds (distance) C4'-P energy: -33.133
bonds (distance) P-C4' energy: -33.387
flat angles C4'-P-C4' energy: -44.194
flat angles P-C4'-P energy: -28.657
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -361.362108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.362108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.362108 (E_RNA)
where:
Base-Base interactions energy: -205.629
where: short stacking energy: -96.839
Base-Backbone interact. energy: -0.826
local terms energy: -154.907793
where:
bonds (distance) C4'-P energy: -44.223
bonds (distance) P-C4' energy: -42.086
flat angles C4'-P-C4' energy: -34.897
flat angles P-C4'-P energy: -20.925
tors. eta vs tors. theta energy: -12.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -206.678610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.678610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.678610 (E_RNA)
where:
Base-Base interactions energy: -75.529
where: short stacking energy: -57.214
Base-Backbone interact. energy: -0.484
local terms energy: -130.665456
where:
bonds (distance) C4'-P energy: -38.229
bonds (distance) P-C4' energy: -36.369
flat angles C4'-P-C4' energy: -29.570
flat angles P-C4'-P energy: -27.825
tors. eta vs tors. theta energy: 1.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -202.627117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.627117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.627117 (E_RNA)
where:
Base-Base interactions energy: -80.606
where: short stacking energy: -70.060
Base-Backbone interact. energy: -0.556
local terms energy: -121.464822
where:
bonds (distance) C4'-P energy: -42.875
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -30.275
flat angles P-C4'-P energy: -17.782
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: 10, replica: 6
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -182.348810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.348810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.348810 (E_RNA)
where:
Base-Base interactions energy: -72.845
where: short stacking energy: -54.067
Base-Backbone interact. energy: -1.369
local terms energy: -108.135219
where:
bonds (distance) C4'-P energy: -29.978
bonds (distance) P-C4' energy: -39.219
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -18.139
tors. eta vs tors. theta energy: 10.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -655.374644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.374644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.374644 (E_RNA)
where:
Base-Base interactions energy: -435.728
where: short stacking energy: -191.959
Base-Backbone interact. energy: -0.802
local terms energy: -218.845309
where:
bonds (distance) C4'-P energy: -49.579
bonds (distance) P-C4' energy: -49.092
flat angles C4'-P-C4' energy: -39.907
flat angles P-C4'-P energy: -29.541
tors. eta vs tors. theta energy: -50.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -638.536008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.536008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.536008 (E_RNA)
where:
Base-Base interactions energy: -413.116
where: short stacking energy: -191.452
Base-Backbone interact. energy: -0.495
local terms energy: -224.924859
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -47.481
flat angles C4'-P-C4' energy: -47.414
flat angles P-C4'-P energy: -32.925
tors. eta vs tors. theta energy: -57.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -585.789444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.789444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.789444 (E_RNA)
where:
Base-Base interactions energy: -378.437
where: short stacking energy: -170.670
Base-Backbone interact. energy: -0.986
local terms energy: -206.366441
where:
bonds (distance) C4'-P energy: -41.412
bonds (distance) P-C4' energy: -41.548
flat angles C4'-P-C4' energy: -45.456
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: -48.937
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: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -535.987453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.987453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.987453 (E_RNA)
where:
Base-Base interactions energy: -357.758
where: short stacking energy: -164.392
Base-Backbone interact. energy: 1.068
local terms energy: -179.297888
where:
bonds (distance) C4'-P energy: -36.781
bonds (distance) P-C4' energy: -34.785
flat angles C4'-P-C4' energy: -36.861
flat angles P-C4'-P energy: -31.444
tors. eta vs tors. theta energy: -39.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -487.699210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.699210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.699210 (E_RNA)
where:
Base-Base interactions energy: -295.852
where: short stacking energy: -153.651
Base-Backbone interact. energy: -0.200
local terms energy: -191.646998
where:
bonds (distance) C4'-P energy: -41.306
bonds (distance) P-C4' energy: -37.009
flat angles C4'-P-C4' energy: -42.669
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -46.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -417.505284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.505284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.505284 (E_RNA)
where:
Base-Base interactions energy: -257.333
where: short stacking energy: -109.351
Base-Backbone interact. energy: -0.205
local terms energy: -159.966839
where:
bonds (distance) C4'-P energy: -40.338
bonds (distance) P-C4' energy: -34.890
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -25.051
tors. eta vs tors. theta energy: -24.658
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: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -295.913715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.913715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.913715 (E_RNA)
where:
Base-Base interactions energy: -143.573
where: short stacking energy: -79.059
Base-Backbone interact. energy: -0.533
local terms energy: -151.807914
where:
bonds (distance) C4'-P energy: -38.970
bonds (distance) P-C4' energy: -39.955
flat angles C4'-P-C4' energy: -40.166
flat angles P-C4'-P energy: -19.537
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -233.372233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.372233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.372233 (E_RNA)
where:
Base-Base interactions energy: -84.109
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.206
local terms energy: -149.057285
where:
bonds (distance) C4'-P energy: -39.144
bonds (distance) P-C4' energy: -37.410
flat angles C4'-P-C4' energy: -36.912
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -18.046
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: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -196.515604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.515604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.515604 (E_RNA)
where:
Base-Base interactions energy: -72.539
where: short stacking energy: -73.339
Base-Backbone interact. energy: 2.376
local terms energy: -126.353154
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -44.577
flat angles C4'-P-C4' energy: -27.021
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -171.663704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.663704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.663704 (E_RNA)
where:
Base-Base interactions energy: -53.549
where: short stacking energy: -48.542
Base-Backbone interact. energy: -0.959
local terms energy: -117.155856
where:
bonds (distance) C4'-P energy: -35.217
bonds (distance) P-C4' energy: -42.644
flat angles C4'-P-C4' energy: -32.555
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: 10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -646.078818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.078818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.078818 (E_RNA)
where:
Base-Base interactions energy: -417.908
where: short stacking energy: -195.860
Base-Backbone interact. energy: -0.101
local terms energy: -228.069309
where:
bonds (distance) C4'-P energy: -41.971
bonds (distance) P-C4' energy: -50.431
flat angles C4'-P-C4' energy: -46.819
flat angles P-C4'-P energy: -32.547
tors. eta vs tors. theta energy: -56.303
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: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -633.262865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.262865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.262865 (E_RNA)
where:
Base-Base interactions energy: -425.224
where: short stacking energy: -173.298
Base-Backbone interact. energy: 0.739
local terms energy: -208.777899
where:
bonds (distance) C4'-P energy: -37.090
bonds (distance) P-C4' energy: -49.230
flat angles C4'-P-C4' energy: -40.276
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -52.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -597.659888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.659888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.659888 (E_RNA)
where:
Base-Base interactions energy: -400.916
where: short stacking energy: -186.268
Base-Backbone interact. energy: 0.683
local terms energy: -197.426513
where:
bonds (distance) C4'-P energy: -34.706
bonds (distance) P-C4' energy: -39.721
flat angles C4'-P-C4' energy: -42.486
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: -53.567
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: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -579.394522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.394522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.394522 (E_RNA)
where:
Base-Base interactions energy: -382.957
where: short stacking energy: -165.764
Base-Backbone interact. energy: -0.187
local terms energy: -196.249941
where:
bonds (distance) C4'-P energy: -30.869
bonds (distance) P-C4' energy: -47.298
flat angles C4'-P-C4' energy: -41.067
flat angles P-C4'-P energy: -25.976
tors. eta vs tors. theta energy: -51.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -471.032269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.032269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.032269 (E_RNA)
where:
Base-Base interactions energy: -280.222
where: short stacking energy: -149.064
Base-Backbone interact. energy: -0.502
local terms energy: -190.308499
where:
bonds (distance) C4'-P energy: -42.639
bonds (distance) P-C4' energy: -38.595
flat angles C4'-P-C4' energy: -46.855
flat angles P-C4'-P energy: -24.833
tors. eta vs tors. theta energy: -37.387
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: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -386.592134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.592134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.592134 (E_RNA)
where:
Base-Base interactions energy: -224.001
where: short stacking energy: -109.275
Base-Backbone interact. energy: -0.750
local terms energy: -161.841684
where:
bonds (distance) C4'-P energy: -36.341
bonds (distance) P-C4' energy: -41.302
flat angles C4'-P-C4' energy: -33.986
flat angles P-C4'-P energy: -20.760
tors. eta vs tors. theta energy: -29.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -310.301455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.301455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.301455 (E_RNA)
where:
Base-Base interactions energy: -150.809
where: short stacking energy: -92.740
Base-Backbone interact. energy: -1.060
local terms energy: -158.431966
where:
bonds (distance) C4'-P energy: -45.265
bonds (distance) P-C4' energy: -41.838
flat angles C4'-P-C4' energy: -32.599
flat angles P-C4'-P energy: -23.838
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -251.943584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.943584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.943584 (E_RNA)
where:
Base-Base interactions energy: -119.427
where: short stacking energy: -76.703
Base-Backbone interact. energy: -1.229
local terms energy: -131.286779
where:
bonds (distance) C4'-P energy: -34.011
bonds (distance) P-C4' energy: -37.867
flat angles C4'-P-C4' energy: -32.763
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -8.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -208.450017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.450017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.450017 (E_RNA)
where:
Base-Base interactions energy: -75.428
where: short stacking energy: -73.349
Base-Backbone interact. energy: -0.849
local terms energy: -132.172582
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -44.676
flat angles C4'-P-C4' energy: -29.646
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -192.988441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.988441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.988441 (E_RNA)
where:
Base-Base interactions energy: -77.013
where: short stacking energy: -65.348
Base-Backbone interact. energy: 1.611
local terms energy: -117.587093
where:
bonds (distance) C4'-P energy: -33.400
bonds (distance) P-C4' energy: -33.087
flat angles C4'-P-C4' energy: -26.495
flat angles P-C4'-P energy: -25.721
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: 1, replica: 5
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -643.304403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.304403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.304403 (E_RNA)
where:
Base-Base interactions energy: -436.221
where: short stacking energy: -200.289
Base-Backbone interact. energy: 0.201
local terms energy: -207.284520
where:
bonds (distance) C4'-P energy: -40.508
bonds (distance) P-C4' energy: -42.174
flat angles C4'-P-C4' energy: -48.302
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -55.270
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: 317
Temperature: 0.950000
Total energy: -631.522775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.522775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.522775 (E_RNA)
where:
Base-Base interactions energy: -427.440
where: short stacking energy: -189.507
Base-Backbone interact. energy: -0.791
local terms energy: -203.291784
where:
bonds (distance) C4'-P energy: -36.111
bonds (distance) P-C4' energy: -44.123
flat angles C4'-P-C4' energy: -37.874
flat angles P-C4'-P energy: -29.088
tors. eta vs tors. theta energy: -56.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -575.294578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.294578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.294578 (E_RNA)
where:
Base-Base interactions energy: -364.923
where: short stacking energy: -182.340
Base-Backbone interact. energy: -0.228
local terms energy: -210.144096
where:
bonds (distance) C4'-P energy: -42.829
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -40.198
flat angles P-C4'-P energy: -33.491
tors. eta vs tors. theta energy: -51.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -568.547129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.547129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.547129 (E_RNA)
where:
Base-Base interactions energy: -354.947
where: short stacking energy: -178.958
Base-Backbone interact. energy: -0.281
local terms energy: -213.319128
where:
bonds (distance) C4'-P energy: -45.687
bonds (distance) P-C4' energy: -32.902
flat angles C4'-P-C4' energy: -40.787
flat angles P-C4'-P energy: -37.938
tors. eta vs tors. theta energy: -56.004
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: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -498.281824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.281824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.281824 (E_RNA)
where:
Base-Base interactions energy: -306.014
where: short stacking energy: -158.017
Base-Backbone interact. energy: 0.012
local terms energy: -192.279223
where:
bonds (distance) C4'-P energy: -40.473
bonds (distance) P-C4' energy: -36.925
flat angles C4'-P-C4' energy: -43.605
flat angles P-C4'-P energy: -24.140
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: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -416.684415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.684415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.684415 (E_RNA)
where:
Base-Base interactions energy: -250.318
where: short stacking energy: -123.322
Base-Backbone interact. energy: -0.346
local terms energy: -166.019875
where:
bonds (distance) C4'-P energy: -42.158
bonds (distance) P-C4' energy: -36.819
flat angles C4'-P-C4' energy: -38.429
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -23.628
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: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -309.220218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.220218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.220218 (E_RNA)
where:
Base-Base interactions energy: -136.815
where: short stacking energy: -77.259
Base-Backbone interact. energy: -0.627
local terms energy: -171.777897
where:
bonds (distance) C4'-P energy: -44.433
bonds (distance) P-C4' energy: -43.370
flat angles C4'-P-C4' energy: -38.716
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -19.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -220.382873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.382873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.382873 (E_RNA)
where:
Base-Base interactions energy: -77.481
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.025
local terms energy: -142.876203
where:
bonds (distance) C4'-P energy: -41.171
bonds (distance) P-C4' energy: -47.009
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -21.305
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -203.229684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.229684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.229684 (E_RNA)
where:
Base-Base interactions energy: -72.040
where: short stacking energy: -58.584
Base-Backbone interact. energy: -1.352
local terms energy: -129.837011
where:
bonds (distance) C4'-P energy: -37.291
bonds (distance) P-C4' energy: -38.373
flat angles C4'-P-C4' energy: -32.308
flat angles P-C4'-P energy: -24.641
tors. eta vs tors. theta energy: 2.776
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: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -178.033473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.033473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.033473 (E_RNA)
where:
Base-Base interactions energy: -79.969
where: short stacking energy: -56.614
Base-Backbone interact. energy: 2.331
local terms energy: -100.395236
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -38.160
flat angles C4'-P-C4' energy: -26.418
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -1.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -663.480014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.480014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.480014 (E_RNA)
where:
Base-Base interactions energy: -447.269
where: short stacking energy: -200.200
Base-Backbone interact. energy: -0.201
local terms energy: -216.010593
where:
bonds (distance) C4'-P energy: -45.835
bonds (distance) P-C4' energy: -43.273
flat angles C4'-P-C4' energy: -40.589
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: -55.879
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: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -624.813589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.813589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.813589 (E_RNA)
where:
Base-Base interactions energy: -401.705
where: short stacking energy: -188.415
Base-Backbone interact. energy: -1.195
local terms energy: -221.913287
where:
bonds (distance) C4'-P energy: -42.750
bonds (distance) P-C4' energy: -48.853
flat angles C4'-P-C4' energy: -43.993
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -62.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -595.311137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.311137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.311137 (E_RNA)
where:
Base-Base interactions energy: -374.544
where: short stacking energy: -175.860
Base-Backbone interact. energy: -0.997
local terms energy: -219.770466
where:
bonds (distance) C4'-P energy: -39.665
bonds (distance) P-C4' energy: -48.318
flat angles C4'-P-C4' energy: -51.059
flat angles P-C4'-P energy: -32.076
tors. eta vs tors. theta energy: -48.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -572.423803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.423803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.423803 (E_RNA)
where:
Base-Base interactions energy: -373.554
where: short stacking energy: -159.953
Base-Backbone interact. energy: -0.160
local terms energy: -198.709387
where:
bonds (distance) C4'-P energy: -41.958
bonds (distance) P-C4' energy: -43.749
flat angles C4'-P-C4' energy: -38.318
flat angles P-C4'-P energy: -24.966
tors. eta vs tors. theta energy: -49.719
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: 4
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -451.086747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.086747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.086747 (E_RNA)
where:
Base-Base interactions energy: -267.363
where: short stacking energy: -148.512
Base-Backbone interact. energy: -0.260
local terms energy: -183.464419
where:
bonds (distance) C4'-P energy: -42.096
bonds (distance) P-C4' energy: -39.476
flat angles C4'-P-C4' energy: -38.967
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -38.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -392.907500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.907500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.907500 (E_RNA)
where:
Base-Base interactions energy: -227.368
where: short stacking energy: -113.412
Base-Backbone interact. energy: -1.182
local terms energy: -164.357921
where:
bonds (distance) C4'-P energy: -44.945
bonds (distance) P-C4' energy: -44.969
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -33.360
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -303.428676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.428676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.428676 (E_RNA)
where:
Base-Base interactions energy: -150.555
where: short stacking energy: -96.252
Base-Backbone interact. energy: 0.601
local terms energy: -153.474554
where:
bonds (distance) C4'-P energy: -29.961
bonds (distance) P-C4' energy: -35.218
flat angles C4'-P-C4' energy: -40.210
flat angles P-C4'-P energy: -30.062
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -202.298326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.298326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.298326 (E_RNA)
where:
Base-Base interactions energy: -60.181
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.059
local terms energy: -142.057928
where:
bonds (distance) C4'-P energy: -40.965
bonds (distance) P-C4' energy: -43.828
flat angles C4'-P-C4' energy: -36.498
flat angles P-C4'-P energy: -24.755
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: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -198.224538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.224538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.224538 (E_RNA)
where:
Base-Base interactions energy: -56.438
where: short stacking energy: -54.054
Base-Backbone interact. energy: -0.798
local terms energy: -140.988766
where:
bonds (distance) C4'-P energy: -42.133
bonds (distance) P-C4' energy: -41.885
flat angles C4'-P-C4' energy: -32.885
flat angles P-C4'-P energy: -29.982
tors. eta vs tors. theta energy: 5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -186.741587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.741587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.741587 (E_RNA)
where:
Base-Base interactions energy: -63.302
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.936
local terms energy: -122.503447
where:
bonds (distance) C4'-P energy: -32.083
bonds (distance) P-C4' energy: -39.109
flat angles C4'-P-C4' energy: -30.011
flat angles P-C4'-P energy: -17.475
tors. eta vs tors. theta energy: -3.826
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: 3
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -640.623962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.623962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.623962 (E_RNA)
where:
Base-Base interactions energy: -422.805
where: short stacking energy: -182.692
Base-Backbone interact. energy: -0.763
local terms energy: -217.055679
where:
bonds (distance) C4'-P energy: -42.522
bonds (distance) P-C4' energy: -45.448
flat angles C4'-P-C4' energy: -45.349
flat angles P-C4'-P energy: -29.409
tors. eta vs tors. theta energy: -54.327
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: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -623.830157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.830157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.830157 (E_RNA)
where:
Base-Base interactions energy: -410.884
where: short stacking energy: -189.064
Base-Backbone interact. energy: 0.212
local terms energy: -213.158200
where:
bonds (distance) C4'-P energy: -43.401
bonds (distance) P-C4' energy: -40.789
flat angles C4'-P-C4' energy: -42.150
flat angles P-C4'-P energy: -28.562
tors. eta vs tors. theta energy: -58.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -576.481261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.481261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.481261 (E_RNA)
where:
Base-Base interactions energy: -379.563
where: short stacking energy: -164.515
Base-Backbone interact. energy: 0.290
local terms energy: -197.208157
where:
bonds (distance) C4'-P energy: -41.029
bonds (distance) P-C4' energy: -39.705
flat angles C4'-P-C4' energy: -41.297
flat angles P-C4'-P energy: -31.231
tors. eta vs tors. theta energy: -43.946
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: 4, replica: 7
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -547.833426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.833426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.833426 (E_RNA)
where:
Base-Base interactions energy: -357.763
where: short stacking energy: -145.457
Base-Backbone interact. energy: -0.263
local terms energy: -189.807300
where:
bonds (distance) C4'-P energy: -41.275
bonds (distance) P-C4' energy: -48.898
flat angles C4'-P-C4' energy: -43.147
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -36.465
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: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -408.013608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.013608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.013608 (E_RNA)
where:
Base-Base interactions energy: -233.771
where: short stacking energy: -113.889
Base-Backbone interact. energy: -1.992
local terms energy: -172.250093
where:
bonds (distance) C4'-P energy: -41.210
bonds (distance) P-C4' energy: -42.094
flat angles C4'-P-C4' energy: -40.267
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -31.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -406.521118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.521118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.521118 (E_RNA)
where:
Base-Base interactions energy: -237.638
where: short stacking energy: -119.392
Base-Backbone interact. energy: -0.356
local terms energy: -168.527667
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -45.616
flat angles C4'-P-C4' energy: -33.284
flat angles P-C4'-P energy: -27.403
tors. eta vs tors. theta energy: -32.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -300.337332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.337332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.337332 (E_RNA)
where:
Base-Base interactions energy: -145.759
where: short stacking energy: -95.762
Base-Backbone interact. energy: 0.323
local terms energy: -154.902036
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -35.827
flat angles C4'-P-C4' energy: -39.023
flat angles P-C4'-P energy: -22.740
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -235.098966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.098966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.098966 (E_RNA)
where:
Base-Base interactions energy: -100.576
where: short stacking energy: -84.295
Base-Backbone interact. energy: 0.356
local terms energy: -134.879283
where:
bonds (distance) C4'-P energy: -40.887
bonds (distance) P-C4' energy: -35.932
flat angles C4'-P-C4' energy: -34.515
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -205.952998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.952998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.952998 (E_RNA)
where:
Base-Base interactions energy: -65.927
where: short stacking energy: -56.046
Base-Backbone interact. energy: -1.193
local terms energy: -138.832748
where:
bonds (distance) C4'-P energy: -40.040
bonds (distance) P-C4' energy: -39.586
flat angles C4'-P-C4' energy: -40.633
flat angles P-C4'-P energy: -16.361
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -187.301711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.301711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.301711 (E_RNA)
where:
Base-Base interactions energy: -58.356
where: short stacking energy: -41.032
Base-Backbone interact. energy: -1.219
local terms energy: -127.727013
where:
bonds (distance) C4'-P energy: -40.545
bonds (distance) P-C4' energy: -29.181
flat angles C4'-P-C4' energy: -42.911
flat angles P-C4'-P energy: -17.610
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: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -667.086735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.086735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.086735 (E_RNA)
where:
Base-Base interactions energy: -440.439
where: short stacking energy: -203.066
Base-Backbone interact. energy: 0.914
local terms energy: -227.561665
where:
bonds (distance) C4'-P energy: -39.365
bonds (distance) P-C4' energy: -49.026
flat angles C4'-P-C4' energy: -42.900
flat angles P-C4'-P energy: -37.001
tors. eta vs tors. theta energy: -59.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -644.751393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.751393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.751393 (E_RNA)
where:
Base-Base interactions energy: -423.389
where: short stacking energy: -193.463
Base-Backbone interact. energy: -2.339
local terms energy: -219.023903
where:
bonds (distance) C4'-P energy: -39.606
bonds (distance) P-C4' energy: -44.047
flat angles C4'-P-C4' energy: -48.034
flat angles P-C4'-P energy: -35.138
tors. eta vs tors. theta energy: -52.198
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: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -574.444605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.444605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.444605 (E_RNA)
where:
Base-Base interactions energy: -380.012
where: short stacking energy: -168.891
Base-Backbone interact. energy: 0.013
local terms energy: -194.445891
where:
bonds (distance) C4'-P energy: -40.938
bonds (distance) P-C4' energy: -41.638
flat angles C4'-P-C4' energy: -35.007
flat angles P-C4'-P energy: -28.034
tors. eta vs tors. theta energy: -48.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -513.554863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.554863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.554863 (E_RNA)
where:
Base-Base interactions energy: -325.948
where: short stacking energy: -134.182
Base-Backbone interact. energy: -0.505
local terms energy: -187.101956
where:
bonds (distance) C4'-P energy: -32.519
bonds (distance) P-C4' energy: -44.757
flat angles C4'-P-C4' energy: -41.265
flat angles P-C4'-P energy: -26.753
tors. eta vs tors. theta energy: -41.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -465.189266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.189266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.189266 (E_RNA)
where:
Base-Base interactions energy: -273.760
where: short stacking energy: -143.726
Base-Backbone interact. energy: -0.238
local terms energy: -191.191021
where:
bonds (distance) C4'-P energy: -40.989
bonds (distance) P-C4' energy: -44.680
flat angles C4'-P-C4' energy: -43.366
flat angles P-C4'-P energy: -23.762
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: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -397.379683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.379683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.379683 (E_RNA)
where:
Base-Base interactions energy: -224.970
where: short stacking energy: -115.104
Base-Backbone interact. energy: -0.442
local terms energy: -171.967747
where:
bonds (distance) C4'-P energy: -33.501
bonds (distance) P-C4' energy: -42.012
flat angles C4'-P-C4' energy: -43.562
flat angles P-C4'-P energy: -22.435
tors. eta vs tors. theta energy: -30.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -308.537618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.537618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.537618 (E_RNA)
where:
Base-Base interactions energy: -151.410
where: short stacking energy: -87.588
Base-Backbone interact. energy: -1.657
local terms energy: -155.469753
where:
bonds (distance) C4'-P energy: -38.573
bonds (distance) P-C4' energy: -37.388
flat angles C4'-P-C4' energy: -43.360
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -14.991
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: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -224.933501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.933501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.933501 (E_RNA)
where:
Base-Base interactions energy: -79.572
where: short stacking energy: -74.621
Base-Backbone interact. energy: -0.837
local terms energy: -144.525031
where:
bonds (distance) C4'-P energy: -36.824
bonds (distance) P-C4' energy: -43.516
flat angles C4'-P-C4' energy: -33.559
flat angles P-C4'-P energy: -21.312
tors. eta vs tors. theta energy: -9.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -197.946250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.946250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.946250 (E_RNA)
where:
Base-Base interactions energy: -72.686
where: short stacking energy: -47.913
Base-Backbone interact. energy: -0.250
local terms energy: -125.010721
where:
bonds (distance) C4'-P energy: -31.685
bonds (distance) P-C4' energy: -42.951
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -2.377
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: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -186.968610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.968610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.968610 (E_RNA)
where:
Base-Base interactions energy: -58.404
where: short stacking energy: -50.014
Base-Backbone interact. energy: 1.314
local terms energy: -129.877949
where:
bonds (distance) C4'-P energy: -32.561
bonds (distance) P-C4' energy: -39.926
flat angles C4'-P-C4' energy: -32.371
flat angles P-C4'-P energy: -25.260
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: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -662.502782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.502782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.502782 (E_RNA)
where:
Base-Base interactions energy: -443.854
where: short stacking energy: -201.455
Base-Backbone interact. energy: -1.324
local terms energy: -217.324229
where:
bonds (distance) C4'-P energy: -38.702
bonds (distance) P-C4' energy: -45.675
flat angles C4'-P-C4' energy: -46.804
flat angles P-C4'-P energy: -28.735
tors. eta vs tors. theta energy: -57.408
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: 321
Temperature: 0.950000
Total energy: -642.107907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.107907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.107907 (E_RNA)
where:
Base-Base interactions energy: -423.888
where: short stacking energy: -200.940
Base-Backbone interact. energy: 0.539
local terms energy: -218.759344
where:
bonds (distance) C4'-P energy: -40.884
bonds (distance) P-C4' energy: -40.590
flat angles C4'-P-C4' energy: -50.813
flat angles P-C4'-P energy: -31.645
tors. eta vs tors. theta energy: -54.828
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: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -602.189974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.189974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.189974 (E_RNA)
where:
Base-Base interactions energy: -397.083
where: short stacking energy: -198.920
Base-Backbone interact. energy: -1.034
local terms energy: -204.072810
where:
bonds (distance) C4'-P energy: -37.585
bonds (distance) P-C4' energy: -32.110
flat angles C4'-P-C4' energy: -45.160
flat angles P-C4'-P energy: -28.631
tors. eta vs tors. theta energy: -60.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -536.324318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.324318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.324318 (E_RNA)
where:
Base-Base interactions energy: -342.471
where: short stacking energy: -157.953
Base-Backbone interact. energy: 0.058
local terms energy: -193.910681
where:
bonds (distance) C4'-P energy: -36.750
bonds (distance) P-C4' energy: -49.356
flat angles C4'-P-C4' energy: -41.720
flat angles P-C4'-P energy: -28.215
tors. eta vs tors. theta energy: -37.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -434.393509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.393509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.393509 (E_RNA)
where:
Base-Base interactions energy: -261.092
where: short stacking energy: -124.824
Base-Backbone interact. energy: 3.487
local terms energy: -176.788555
where:
bonds (distance) C4'-P energy: -37.269
bonds (distance) P-C4' energy: -39.801
flat angles C4'-P-C4' energy: -39.699
flat angles P-C4'-P energy: -26.709
tors. eta vs tors. theta energy: -33.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -410.002544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.002544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.002544 (E_RNA)
where:
Base-Base interactions energy: -242.329
where: short stacking energy: -123.424
Base-Backbone interact. energy: -0.357
local terms energy: -167.316855
where:
bonds (distance) C4'-P energy: -34.902
bonds (distance) P-C4' energy: -41.704
flat angles C4'-P-C4' energy: -30.521
flat angles P-C4'-P energy: -32.100
tors. eta vs tors. theta energy: -28.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -321.862056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.862056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.862056 (E_RNA)
where:
Base-Base interactions energy: -175.385
where: short stacking energy: -93.590
Base-Backbone interact. energy: 0.314
local terms energy: -146.791273
where:
bonds (distance) C4'-P energy: -38.025
bonds (distance) P-C4' energy: -43.418
flat angles C4'-P-C4' energy: -34.931
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -7.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -217.448501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.448501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.448501 (E_RNA)
where:
Base-Base interactions energy: -82.682
where: short stacking energy: -82.682
Base-Backbone interact. energy: -0.338
local terms energy: -134.428697
where:
bonds (distance) C4'-P energy: -26.208
bonds (distance) P-C4' energy: -38.637
flat angles C4'-P-C4' energy: -36.320
flat angles P-C4'-P energy: -29.849
tors. eta vs tors. theta energy: -3.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -192.111069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.111069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.111069 (E_RNA)
where:
Base-Base interactions energy: -69.582
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.434
local terms energy: -122.095166
where:
bonds (distance) C4'-P energy: -28.826
bonds (distance) P-C4' energy: -47.654
flat angles C4'-P-C4' energy: -26.067
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -213.925137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.925137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.925137 (E_RNA)
where:
Base-Base interactions energy: -86.653
where: short stacking energy: -65.774
Base-Backbone interact. energy: 0.373
local terms energy: -127.644613
where:
bonds (distance) C4'-P energy: -32.745
bonds (distance) P-C4' energy: -40.872
flat angles C4'-P-C4' energy: -37.276
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -681.264967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.264967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.264967 (E_RNA)
where:
Base-Base interactions energy: -448.669
where: short stacking energy: -221.859
Base-Backbone interact. energy: -0.370
local terms energy: -232.225842
where:
bonds (distance) C4'-P energy: -43.899
bonds (distance) P-C4' energy: -35.944
flat angles C4'-P-C4' energy: -50.142
flat angles P-C4'-P energy: -34.505
tors. eta vs tors. theta energy: -67.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -620.925991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.925991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.925991 (E_RNA)
where:
Base-Base interactions energy: -407.791
where: short stacking energy: -183.900
Base-Backbone interact. energy: 0.310
local terms energy: -213.445376
where:
bonds (distance) C4'-P energy: -34.924
bonds (distance) P-C4' energy: -45.626
flat angles C4'-P-C4' energy: -51.412
flat angles P-C4'-P energy: -31.526
tors. eta vs tors. theta energy: -49.957
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: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -561.174721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.174721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.174721 (E_RNA)
where:
Base-Base interactions energy: -353.930
where: short stacking energy: -174.259
Base-Backbone interact. energy: -0.466
local terms energy: -206.778690
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -40.545
flat angles C4'-P-C4' energy: -50.908
flat angles P-C4'-P energy: -27.700
tors. eta vs tors. theta energy: -37.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -537.363167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.363167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.363167 (E_RNA)
where:
Base-Base interactions energy: -355.642
where: short stacking energy: -138.356
Base-Backbone interact. energy: -0.716
local terms energy: -181.005792
where:
bonds (distance) C4'-P energy: -37.018
bonds (distance) P-C4' energy: -44.640
flat angles C4'-P-C4' energy: -36.888
flat angles P-C4'-P energy: -29.341
tors. eta vs tors. theta energy: -33.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -465.063424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.063424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.063424 (E_RNA)
where:
Base-Base interactions energy: -285.504
where: short stacking energy: -123.033
Base-Backbone interact. energy: -1.798
local terms energy: -177.761778
where:
bonds (distance) C4'-P energy: -36.040
bonds (distance) P-C4' energy: -38.776
flat angles C4'-P-C4' energy: -43.120
flat angles P-C4'-P energy: -34.463
tors. eta vs tors. theta energy: -25.363
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: 322
Temperature: 1.150000
Total energy: -408.234855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.234855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.234855 (E_RNA)
where:
Base-Base interactions energy: -254.631
where: short stacking energy: -127.070
Base-Backbone interact. energy: -2.512
local terms energy: -151.091462
where:
bonds (distance) C4'-P energy: -29.658
bonds (distance) P-C4' energy: -39.760
flat angles C4'-P-C4' energy: -35.258
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -30.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -320.989733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.989733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.989733 (E_RNA)
where:
Base-Base interactions energy: -156.165
where: short stacking energy: -97.322
Base-Backbone interact. energy: -0.709
local terms energy: -164.115527
where:
bonds (distance) C4'-P energy: -40.130
bonds (distance) P-C4' energy: -44.320
flat angles C4'-P-C4' energy: -33.360
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -231.540418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.540418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.540418 (E_RNA)
where:
Base-Base interactions energy: -103.202
where: short stacking energy: -62.468
Base-Backbone interact. energy: -1.669
local terms energy: -126.669116
where:
bonds (distance) C4'-P energy: -28.524
bonds (distance) P-C4' energy: -42.427
flat angles C4'-P-C4' energy: -35.682
flat angles P-C4'-P energy: -19.434
tors. eta vs tors. theta energy: -0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -198.593689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.593689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.593689 (E_RNA)
where:
Base-Base interactions energy: -80.551
where: short stacking energy: -47.084
Base-Backbone interact. energy: -0.795
local terms energy: -117.247680
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -44.171
flat angles C4'-P-C4' energy: -24.530
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: 0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -203.250702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.250702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.250702 (E_RNA)
where:
Base-Base interactions energy: -69.645
where: short stacking energy: -53.134
Base-Backbone interact. energy: -0.447
local terms energy: -133.158214
where:
bonds (distance) C4'-P energy: -32.526
bonds (distance) P-C4' energy: -36.757
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -30.889
tors. eta vs tors. theta energy: 0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -670.116330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.116330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.116330 (E_RNA)
where:
Base-Base interactions energy: -440.258
where: short stacking energy: -217.224
Base-Backbone interact. energy: 0.517
local terms energy: -230.375365
where:
bonds (distance) C4'-P energy: -40.909
bonds (distance) P-C4' energy: -44.380
flat angles C4'-P-C4' energy: -49.930
flat angles P-C4'-P energy: -30.183
tors. eta vs tors. theta energy: -64.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -619.793319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.793319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.793319 (E_RNA)
where:
Base-Base interactions energy: -410.168
where: short stacking energy: -181.479
Base-Backbone interact. energy: -1.422
local terms energy: -208.203452
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -37.590
flat angles C4'-P-C4' energy: -45.437
flat angles P-C4'-P energy: -34.670
tors. eta vs tors. theta energy: -46.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -583.002201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.002201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.002201 (E_RNA)
where:
Base-Base interactions energy: -389.729
where: short stacking energy: -180.848
Base-Backbone interact. energy: -0.439
local terms energy: -192.834921
where:
bonds (distance) C4'-P energy: -37.918
bonds (distance) P-C4' energy: -43.235
flat angles C4'-P-C4' energy: -44.186
flat angles P-C4'-P energy: -26.015
tors. eta vs tors. theta energy: -41.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -566.029346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.029346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.029346 (E_RNA)
where:
Base-Base interactions energy: -366.549
where: short stacking energy: -165.138
Base-Backbone interact. energy: -1.001
local terms energy: -198.479214
where:
bonds (distance) C4'-P energy: -41.666
bonds (distance) P-C4' energy: -44.644
flat angles C4'-P-C4' energy: -40.974
flat angles P-C4'-P energy: -28.724
tors. eta vs tors. theta energy: -42.472
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: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -474.552839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.552839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.552839 (E_RNA)
where:
Base-Base interactions energy: -286.111
where: short stacking energy: -151.129
Base-Backbone interact. energy: -0.204
local terms energy: -188.237736
where:
bonds (distance) C4'-P energy: -44.122
bonds (distance) P-C4' energy: -42.942
flat angles C4'-P-C4' energy: -35.724
flat angles P-C4'-P energy: -25.261
tors. eta vs tors. theta energy: -40.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -425.809167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.809167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.809167 (E_RNA)
where:
Base-Base interactions energy: -249.861
where: short stacking energy: -123.923
Base-Backbone interact. energy: 0.447
local terms energy: -176.395609
where:
bonds (distance) C4'-P energy: -33.446
bonds (distance) P-C4' energy: -49.393
flat angles C4'-P-C4' energy: -41.244
flat angles P-C4'-P energy: -18.358
tors. eta vs tors. theta energy: -33.954
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: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -299.355801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.355801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.355801 (E_RNA)
where:
Base-Base interactions energy: -159.948
where: short stacking energy: -72.207
Base-Backbone interact. energy: -0.162
local terms energy: -139.245856
where:
bonds (distance) C4'-P energy: -40.094
bonds (distance) P-C4' energy: -38.264
flat angles C4'-P-C4' energy: -29.581
flat angles P-C4'-P energy: -25.265
tors. eta vs tors. theta energy: -6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -200.991474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.991474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.991474 (E_RNA)
where:
Base-Base interactions energy: -80.158
where: short stacking energy: -77.793
Base-Backbone interact. energy: 0.201
local terms energy: -121.034493
where:
bonds (distance) C4'-P energy: -31.229
bonds (distance) P-C4' energy: -38.821
flat angles C4'-P-C4' energy: -30.706
flat angles P-C4'-P energy: -16.741
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: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -190.516463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.516463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.516463 (E_RNA)
where:
Base-Base interactions energy: -62.048
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.504
local terms energy: -127.964170
where:
bonds (distance) C4'-P energy: -43.389
bonds (distance) P-C4' energy: -33.658
flat angles C4'-P-C4' energy: -34.309
flat angles P-C4'-P energy: -16.918
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: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -181.529437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.529437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.529437 (E_RNA)
where:
Base-Base interactions energy: -73.446
where: short stacking energy: -63.587
Base-Backbone interact. energy: -1.382
local terms energy: -106.702371
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: 1.577
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: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -642.967807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.967807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.967807 (E_RNA)
where:
Base-Base interactions energy: -415.901
where: short stacking energy: -208.259
Base-Backbone interact. energy: 1.199
local terms energy: -228.265595
where:
bonds (distance) C4'-P energy: -40.646
bonds (distance) P-C4' energy: -44.297
flat angles C4'-P-C4' energy: -48.900
flat angles P-C4'-P energy: -32.322
tors. eta vs tors. theta energy: -62.101
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: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -600.986430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.986430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.986430 (E_RNA)
where:
Base-Base interactions energy: -392.426
where: short stacking energy: -158.382
Base-Backbone interact. energy: -1.140
local terms energy: -207.420842
where:
bonds (distance) C4'-P energy: -42.831
bonds (distance) P-C4' energy: -51.294
flat angles C4'-P-C4' energy: -44.032
flat angles P-C4'-P energy: -27.541
tors. eta vs tors. theta energy: -41.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -568.192688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.192688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.192688 (E_RNA)
where:
Base-Base interactions energy: -371.071
where: short stacking energy: -163.440
Base-Backbone interact. energy: 0.745
local terms energy: -197.866517
where:
bonds (distance) C4'-P energy: -41.081
bonds (distance) P-C4' energy: -42.490
flat angles C4'-P-C4' energy: -44.056
flat angles P-C4'-P energy: -31.851
tors. eta vs tors. theta energy: -38.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -552.435428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.435428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.435428 (E_RNA)
where:
Base-Base interactions energy: -358.695
where: short stacking energy: -161.900
Base-Backbone interact. energy: -0.046
local terms energy: -193.694436
where:
bonds (distance) C4'-P energy: -43.931
bonds (distance) P-C4' energy: -36.066
flat angles C4'-P-C4' energy: -40.614
flat angles P-C4'-P energy: -26.755
tors. eta vs tors. theta energy: -46.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -454.684229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.684229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.684229 (E_RNA)
where:
Base-Base interactions energy: -282.847
where: short stacking energy: -142.030
Base-Backbone interact. energy: -1.282
local terms energy: -170.554960
where:
bonds (distance) C4'-P energy: -39.062
bonds (distance) P-C4' energy: -37.561
flat angles C4'-P-C4' energy: -40.387
flat angles P-C4'-P energy: -24.591
tors. eta vs tors. theta energy: -28.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -395.096463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.096463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.096463 (E_RNA)
where:
Base-Base interactions energy: -234.850
where: short stacking energy: -121.685
Base-Backbone interact. energy: 0.144
local terms energy: -160.389980
where:
bonds (distance) C4'-P energy: -30.265
bonds (distance) P-C4' energy: -46.068
flat angles C4'-P-C4' energy: -36.120
flat angles P-C4'-P energy: -23.963
tors. eta vs tors. theta energy: -23.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -285.513207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.513207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.513207 (E_RNA)
where:
Base-Base interactions energy: -140.153
where: short stacking energy: -90.032
Base-Backbone interact. energy: -0.337
local terms energy: -145.022881
where:
bonds (distance) C4'-P energy: -38.889
bonds (distance) P-C4' energy: -41.041
flat angles C4'-P-C4' energy: -29.543
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -211.043315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.043315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.043315 (E_RNA)
where:
Base-Base interactions energy: -67.114
where: short stacking energy: -52.074
Base-Backbone interact. energy: -0.524
local terms energy: -143.404789
where:
bonds (distance) C4'-P energy: -41.905
bonds (distance) P-C4' energy: -40.350
flat angles C4'-P-C4' energy: -34.887
flat angles P-C4'-P energy: -19.945
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: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -190.846722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.846722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.846722 (E_RNA)
where:
Base-Base interactions energy: -60.727
where: short stacking energy: -55.308
Base-Backbone interact. energy: -0.275
local terms energy: -129.845362
where:
bonds (distance) C4'-P energy: -38.316
bonds (distance) P-C4' energy: -42.632
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -15.737
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -173.682675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.682675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.682675 (E_RNA)
where:
Base-Base interactions energy: -54.834
where: short stacking energy: -45.063
Base-Backbone interact. energy: -0.119
local terms energy: -118.729676
where:
bonds (distance) C4'-P energy: -34.674
bonds (distance) P-C4' energy: -42.926
flat angles C4'-P-C4' energy: -27.201
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: 3.369
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: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -650.111918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.111918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.111918 (E_RNA)
where:
Base-Base interactions energy: -420.549
where: short stacking energy: -199.915
Base-Backbone interact. energy: -0.065
local terms energy: -229.497927
where:
bonds (distance) C4'-P energy: -38.730
bonds (distance) P-C4' energy: -49.918
flat angles C4'-P-C4' energy: -46.172
flat angles P-C4'-P energy: -33.587
tors. eta vs tors. theta energy: -61.091
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: 325
Temperature: 0.950000
Total energy: -616.083323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.083323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.083323 (E_RNA)
where:
Base-Base interactions energy: -408.949
where: short stacking energy: -177.979
Base-Backbone interact. energy: 0.339
local terms energy: -207.473343
where:
bonds (distance) C4'-P energy: -47.495
bonds (distance) P-C4' energy: -40.769
flat angles C4'-P-C4' energy: -47.361
flat angles P-C4'-P energy: -26.320
tors. eta vs tors. theta energy: -45.529
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: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -591.439272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.439272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.439272 (E_RNA)
where:
Base-Base interactions energy: -367.945
where: short stacking energy: -177.844
Base-Backbone interact. energy: -0.945
local terms energy: -222.550077
where:
bonds (distance) C4'-P energy: -46.032
bonds (distance) P-C4' energy: -40.923
flat angles C4'-P-C4' energy: -44.138
flat angles P-C4'-P energy: -35.808
tors. eta vs tors. theta energy: -55.649
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: 7
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -571.790869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.790869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.790869 (E_RNA)
where:
Base-Base interactions energy: -375.663
where: short stacking energy: -168.005
Base-Backbone interact. energy: -0.219
local terms energy: -195.908711
where:
bonds (distance) C4'-P energy: -37.703
bonds (distance) P-C4' energy: -44.980
flat angles C4'-P-C4' energy: -44.489
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -47.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -479.446604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.446604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.446604 (E_RNA)
where:
Base-Base interactions energy: -300.593
where: short stacking energy: -160.501
Base-Backbone interact. energy: -0.456
local terms energy: -178.397605
where:
bonds (distance) C4'-P energy: -38.916
bonds (distance) P-C4' energy: -38.227
flat angles C4'-P-C4' energy: -39.786
flat angles P-C4'-P energy: -28.134
tors. eta vs tors. theta energy: -33.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -395.855606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.855606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.855606 (E_RNA)
where:
Base-Base interactions energy: -224.210
where: short stacking energy: -94.485
Base-Backbone interact. energy: -0.088
local terms energy: -171.557373
where:
bonds (distance) C4'-P energy: -39.855
bonds (distance) P-C4' energy: -45.569
flat angles C4'-P-C4' energy: -39.888
flat angles P-C4'-P energy: -30.155
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -288.361311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.361311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.361311 (E_RNA)
where:
Base-Base interactions energy: -140.694
where: short stacking energy: -82.540
Base-Backbone interact. energy: -0.073
local terms energy: -147.593983
where:
bonds (distance) C4'-P energy: -39.958
bonds (distance) P-C4' energy: -37.163
flat angles C4'-P-C4' energy: -36.466
flat angles P-C4'-P energy: -23.077
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: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -212.886844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.886844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.886844 (E_RNA)
where:
Base-Base interactions energy: -80.329
where: short stacking energy: -80.099
Base-Backbone interact. energy: 1.999
local terms energy: -134.556181
where:
bonds (distance) C4'-P energy: -39.907
bonds (distance) P-C4' energy: -42.506
flat angles C4'-P-C4' energy: -28.118
flat angles P-C4'-P energy: -14.694
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: 9
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -200.055670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.055670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.055670 (E_RNA)
where:
Base-Base interactions energy: -74.617
where: short stacking energy: -56.291
Base-Backbone interact. energy: -0.743
local terms energy: -124.696579
where:
bonds (distance) C4'-P energy: -32.383
bonds (distance) P-C4' energy: -33.662
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -31.347
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -176.442239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.442239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.442239 (E_RNA)
where:
Base-Base interactions energy: -44.680
where: short stacking energy: -43.189
Base-Backbone interact. energy: 2.924
local terms energy: -134.685779
where:
bonds (distance) C4'-P energy: -41.327
bonds (distance) P-C4' energy: -40.173
flat angles C4'-P-C4' energy: -34.131
flat angles P-C4'-P energy: -21.657
tors. eta vs tors. theta energy: 2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -663.282531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.282531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.282531 (E_RNA)
where:
Base-Base interactions energy: -432.130
where: short stacking energy: -208.060
Base-Backbone interact. energy: -0.050
local terms energy: -231.103164
where:
bonds (distance) C4'-P energy: -43.116
bonds (distance) P-C4' energy: -46.179
flat angles C4'-P-C4' energy: -47.864
flat angles P-C4'-P energy: -29.404
tors. eta vs tors. theta energy: -64.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -617.868340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.868340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.868340 (E_RNA)
where:
Base-Base interactions energy: -412.698
where: short stacking energy: -172.289
Base-Backbone interact. energy: -0.151
local terms energy: -205.019719
where:
bonds (distance) C4'-P energy: -44.042
bonds (distance) P-C4' energy: -42.901
flat angles C4'-P-C4' energy: -45.586
flat angles P-C4'-P energy: -31.072
tors. eta vs tors. theta energy: -41.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -590.151884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.151884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.151884 (E_RNA)
where:
Base-Base interactions energy: -383.507
where: short stacking energy: -166.195
Base-Backbone interact. energy: 2.183
local terms energy: -208.828260
where:
bonds (distance) C4'-P energy: -38.416
bonds (distance) P-C4' energy: -48.959
flat angles C4'-P-C4' energy: -42.592
flat angles P-C4'-P energy: -30.377
tors. eta vs tors. theta energy: -48.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -535.877778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.877778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.877778 (E_RNA)
where:
Base-Base interactions energy: -343.758
where: short stacking energy: -164.041
Base-Backbone interact. energy: -0.139
local terms energy: -191.979987
where:
bonds (distance) C4'-P energy: -35.638
bonds (distance) P-C4' energy: -45.066
flat angles C4'-P-C4' energy: -40.602
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -46.463
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: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -492.432245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.432245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.432245 (E_RNA)
where:
Base-Base interactions energy: -298.389
where: short stacking energy: -148.366
Base-Backbone interact. energy: -0.436
local terms energy: -193.607326
where:
bonds (distance) C4'-P energy: -42.397
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -41.522
flat angles P-C4'-P energy: -30.684
tors. eta vs tors. theta energy: -38.063
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: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -419.193541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.193541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.193541 (E_RNA)
where:
Base-Base interactions energy: -248.189
where: short stacking energy: -113.041
Base-Backbone interact. energy: 0.429
local terms energy: -171.434255
where:
bonds (distance) C4'-P energy: -33.007
bonds (distance) P-C4' energy: -48.005
flat angles C4'-P-C4' energy: -37.190
flat angles P-C4'-P energy: -34.549
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -303.276436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.276436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.276436 (E_RNA)
where:
Base-Base interactions energy: -152.139
where: short stacking energy: -106.617
Base-Backbone interact. energy: 0.767
local terms energy: -151.904780
where:
bonds (distance) C4'-P energy: -33.325
bonds (distance) P-C4' energy: -41.677
flat angles C4'-P-C4' energy: -36.003
flat angles P-C4'-P energy: -18.313
tors. eta vs tors. theta energy: -22.587
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: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -216.360222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.360222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.360222 (E_RNA)
where:
Base-Base interactions energy: -79.062
where: short stacking energy: -69.169
Base-Backbone interact. energy: 2.344
local terms energy: -139.641703
where:
bonds (distance) C4'-P energy: -38.234
bonds (distance) P-C4' energy: -46.400
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -26.497
tors. eta vs tors. theta energy: -5.776
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: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -204.230477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.230477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.230477 (E_RNA)
where:
Base-Base interactions energy: -97.408
where: short stacking energy: -66.623
Base-Backbone interact. energy: -0.999
local terms energy: -105.823357
where:
bonds (distance) C4'-P energy: -33.667
bonds (distance) P-C4' energy: -31.815
flat angles C4'-P-C4' energy: -25.461
flat angles P-C4'-P energy: -16.393
tors. eta vs tors. theta energy: 1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -177.499133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.499133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.499133 (E_RNA)
where:
Base-Base interactions energy: -49.823
where: short stacking energy: -46.772
Base-Backbone interact. energy: 0.204
local terms energy: -127.880855
where:
bonds (distance) C4'-P energy: -34.973
bonds (distance) P-C4' energy: -46.369
flat angles C4'-P-C4' energy: -32.306
flat angles P-C4'-P energy: -15.884
tors. eta vs tors. theta energy: 1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -659.793993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.793993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.793993 (E_RNA)
where:
Base-Base interactions energy: -420.138
where: short stacking energy: -199.838
Base-Backbone interact. energy: -0.947
local terms energy: -238.709366
where:
bonds (distance) C4'-P energy: -50.505
bonds (distance) P-C4' energy: -43.553
flat angles C4'-P-C4' energy: -50.048
flat angles P-C4'-P energy: -35.108
tors. eta vs tors. theta energy: -59.495
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: 327
Temperature: 0.950000
Total energy: -640.157106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.157106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.157106 (E_RNA)
where:
Base-Base interactions energy: -426.168
where: short stacking energy: -180.332
Base-Backbone interact. energy: 0.476
local terms energy: -214.464928
where:
bonds (distance) C4'-P energy: -45.361
bonds (distance) P-C4' energy: -35.005
flat angles C4'-P-C4' energy: -48.921
flat angles P-C4'-P energy: -36.432
tors. eta vs tors. theta energy: -48.745
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: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -578.089731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.089731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.089731 (E_RNA)
where:
Base-Base interactions energy: -374.619
where: short stacking energy: -165.218
Base-Backbone interact. energy: -0.697
local terms energy: -202.774224
where:
bonds (distance) C4'-P energy: -42.330
bonds (distance) P-C4' energy: -42.123
flat angles C4'-P-C4' energy: -43.112
flat angles P-C4'-P energy: -30.152
tors. eta vs tors. theta energy: -45.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -572.814371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.814371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.814371 (E_RNA)
where:
Base-Base interactions energy: -373.577
where: short stacking energy: -182.752
Base-Backbone interact. energy: -0.338
local terms energy: -198.898595
where:
bonds (distance) C4'-P energy: -36.160
bonds (distance) P-C4' energy: -45.372
flat angles C4'-P-C4' energy: -41.446
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -49.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -516.594965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.594965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.594965 (E_RNA)
where:
Base-Base interactions energy: -334.658
where: short stacking energy: -152.535
Base-Backbone interact. energy: -0.631
local terms energy: -181.305930
where:
bonds (distance) C4'-P energy: -34.847
bonds (distance) P-C4' energy: -41.388
flat angles C4'-P-C4' energy: -38.856
flat angles P-C4'-P energy: -27.865
tors. eta vs tors. theta energy: -38.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -420.754191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.754191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.754191 (E_RNA)
where:
Base-Base interactions energy: -260.534
where: short stacking energy: -114.735
Base-Backbone interact. energy: 0.838
local terms energy: -161.058137
where:
bonds (distance) C4'-P energy: -38.929
bonds (distance) P-C4' energy: -35.965
flat angles C4'-P-C4' energy: -39.604
flat angles P-C4'-P energy: -30.418
tors. eta vs tors. theta energy: -16.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -295.758126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.758126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.758126 (E_RNA)
where:
Base-Base interactions energy: -161.574
where: short stacking energy: -92.989
Base-Backbone interact. energy: 0.987
local terms energy: -135.170380
where:
bonds (distance) C4'-P energy: -32.154
bonds (distance) P-C4' energy: -37.654
flat angles C4'-P-C4' energy: -30.624
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -224.864415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.864415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.864415 (E_RNA)
where:
Base-Base interactions energy: -75.385
where: short stacking energy: -60.967
Base-Backbone interact. energy: -1.602
local terms energy: -147.877205
where:
bonds (distance) C4'-P energy: -42.304
bonds (distance) P-C4' energy: -45.205
flat angles C4'-P-C4' energy: -38.772
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -0.161
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: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -230.169860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.169860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.169860 (E_RNA)
where:
Base-Base interactions energy: -105.273
where: short stacking energy: -74.290
Base-Backbone interact. energy: -0.374
local terms energy: -124.523601
where:
bonds (distance) C4'-P energy: -38.131
bonds (distance) P-C4' energy: -42.049
flat angles C4'-P-C4' energy: -23.658
flat angles P-C4'-P energy: -17.421
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -207.606318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.606318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.606318 (E_RNA)
where:
Base-Base interactions energy: -83.272
where: short stacking energy: -78.602
Base-Backbone interact. energy: -0.810
local terms energy: -123.524084
where:
bonds (distance) C4'-P energy: -38.134
bonds (distance) P-C4' energy: -31.713
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -3.231
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: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -670.149253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.149253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.149253 (E_RNA)
where:
Base-Base interactions energy: -428.674
where: short stacking energy: -203.440
Base-Backbone interact. energy: -0.666
local terms energy: -240.808533
where:
bonds (distance) C4'-P energy: -48.693
bonds (distance) P-C4' energy: -50.068
flat angles C4'-P-C4' energy: -47.925
flat angles P-C4'-P energy: -35.957
tors. eta vs tors. theta energy: -58.165
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: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -632.321189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.321189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.321189 (E_RNA)
where:
Base-Base interactions energy: -421.968
where: short stacking energy: -177.626
Base-Backbone interact. energy: -1.672
local terms energy: -208.680643
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -41.667
flat angles C4'-P-C4' energy: -43.631
flat angles P-C4'-P energy: -31.794
tors. eta vs tors. theta energy: -50.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -561.535278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.535278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.535278 (E_RNA)
where:
Base-Base interactions energy: -364.858
where: short stacking energy: -167.479
Base-Backbone interact. energy: -0.363
local terms energy: -196.314915
where:
bonds (distance) C4'-P energy: -39.253
bonds (distance) P-C4' energy: -43.017
flat angles C4'-P-C4' energy: -46.655
flat angles P-C4'-P energy: -27.373
tors. eta vs tors. theta energy: -40.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -533.723673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.723673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.723673 (E_RNA)
where:
Base-Base interactions energy: -342.535
where: short stacking energy: -157.116
Base-Backbone interact. energy: -0.808
local terms energy: -190.380457
where:
bonds (distance) C4'-P energy: -38.831
bonds (distance) P-C4' energy: -39.136
flat angles C4'-P-C4' energy: -42.978
flat angles P-C4'-P energy: -22.879
tors. eta vs tors. theta energy: -46.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -506.704014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.704014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.704014 (E_RNA)
where:
Base-Base interactions energy: -321.574
where: short stacking energy: -160.817
Base-Backbone interact. energy: -0.049
local terms energy: -185.081208
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -39.336
flat angles C4'-P-C4' energy: -43.022
flat angles P-C4'-P energy: -23.923
tors. eta vs tors. theta energy: -42.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -398.952646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.952646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.952646 (E_RNA)
where:
Base-Base interactions energy: -233.420
where: short stacking energy: -99.933
Base-Backbone interact. energy: 0.844
local terms energy: -166.377346
where:
bonds (distance) C4'-P energy: -40.737
bonds (distance) P-C4' energy: -40.832
flat angles C4'-P-C4' energy: -36.306
flat angles P-C4'-P energy: -28.583
tors. eta vs tors. theta energy: -19.920
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: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -313.766506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.766506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.766506 (E_RNA)
where:
Base-Base interactions energy: -156.669
where: short stacking energy: -82.751
Base-Backbone interact. energy: -0.517
local terms energy: -156.580411
where:
bonds (distance) C4'-P energy: -36.451
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -40.382
flat angles P-C4'-P energy: -28.997
tors. eta vs tors. theta energy: -12.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -206.467745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.467745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.467745 (E_RNA)
where:
Base-Base interactions energy: -64.710
where: short stacking energy: -47.810
Base-Backbone interact. energy: 2.873
local terms energy: -144.630577
where:
bonds (distance) C4'-P energy: -36.783
bonds (distance) P-C4' energy: -44.712
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -23.772
tors. eta vs tors. theta energy: -0.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -186.836875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.836875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.836875 (E_RNA)
where:
Base-Base interactions energy: -67.035
where: short stacking energy: -47.216
Base-Backbone interact. energy: -0.169
local terms energy: -119.632780
where:
bonds (distance) C4'-P energy: -29.199
bonds (distance) P-C4' energy: -34.962
flat angles C4'-P-C4' energy: -35.504
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: 0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -185.426860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.426860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.426860 (E_RNA)
where:
Base-Base interactions energy: -67.982
where: short stacking energy: -60.778
Base-Backbone interact. energy: -1.426
local terms energy: -116.019410
where:
bonds (distance) C4'-P energy: -40.727
bonds (distance) P-C4' energy: -37.104
flat angles C4'-P-C4' energy: -29.028
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: 4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -678.206052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.206052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.206052 (E_RNA)
where:
Base-Base interactions energy: -439.550
where: short stacking energy: -222.012
Base-Backbone interact. energy: -0.947
local terms energy: -237.709122
where:
bonds (distance) C4'-P energy: -46.912
bonds (distance) P-C4' energy: -48.452
flat angles C4'-P-C4' energy: -44.180
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: -64.884
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: 329
Temperature: 0.950000
Total energy: -651.632223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.632223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.632223 (E_RNA)
where:
Base-Base interactions energy: -435.141
where: short stacking energy: -174.717
Base-Backbone interact. energy: -0.708
local terms energy: -215.783512
where:
bonds (distance) C4'-P energy: -40.203
bonds (distance) P-C4' energy: -43.153
flat angles C4'-P-C4' energy: -45.839
flat angles P-C4'-P energy: -32.589
tors. eta vs tors. theta energy: -53.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -564.125793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.125793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.125793 (E_RNA)
where:
Base-Base interactions energy: -374.788
where: short stacking energy: -163.693
Base-Backbone interact. energy: 0.791
local terms energy: -190.128646
where:
bonds (distance) C4'-P energy: -44.459
bonds (distance) P-C4' energy: -37.481
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -49.199
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: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -522.956578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.956578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.956578 (E_RNA)
where:
Base-Base interactions energy: -324.942
where: short stacking energy: -165.272
Base-Backbone interact. energy: -0.471
local terms energy: -197.543401
where:
bonds (distance) C4'-P energy: -45.107
bonds (distance) P-C4' energy: -42.012
flat angles C4'-P-C4' energy: -32.985
flat angles P-C4'-P energy: -28.456
tors. eta vs tors. theta energy: -48.983
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: 329
Temperature: 1.100000
Total energy: -499.641177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.641177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.641177 (E_RNA)
where:
Base-Base interactions energy: -317.415
where: short stacking energy: -147.314
Base-Backbone interact. energy: -0.375
local terms energy: -181.851318
where:
bonds (distance) C4'-P energy: -42.176
bonds (distance) P-C4' energy: -40.288
flat angles C4'-P-C4' energy: -32.641
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -40.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -414.214042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.214042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.214042 (E_RNA)
where:
Base-Base interactions energy: -232.766
where: short stacking energy: -118.283
Base-Backbone interact. energy: -0.909
local terms energy: -180.538803
where:
bonds (distance) C4'-P energy: -41.152
bonds (distance) P-C4' energy: -47.393
flat angles C4'-P-C4' energy: -40.360
flat angles P-C4'-P energy: -30.435
tors. eta vs tors. theta energy: -21.200
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: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -302.254628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.254628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.254628 (E_RNA)
where:
Base-Base interactions energy: -168.488
where: short stacking energy: -97.757
Base-Backbone interact. energy: -1.008
local terms energy: -132.758639
where:
bonds (distance) C4'-P energy: -30.746
bonds (distance) P-C4' energy: -37.218
flat angles C4'-P-C4' energy: -30.805
flat angles P-C4'-P energy: -19.989
tors. eta vs tors. theta energy: -14.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -234.684583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.684583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.684583 (E_RNA)
where:
Base-Base interactions energy: -100.042
where: short stacking energy: -53.109
Base-Backbone interact. energy: -0.633
local terms energy: -134.010133
where:
bonds (distance) C4'-P energy: -35.334
bonds (distance) P-C4' energy: -41.127
flat angles C4'-P-C4' energy: -37.663
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -193.825163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.825163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.825163 (E_RNA)
where:
Base-Base interactions energy: -63.731
where: short stacking energy: -61.296
Base-Backbone interact. energy: -0.116
local terms energy: -129.977845
where:
bonds (distance) C4'-P energy: -37.270
bonds (distance) P-C4' energy: -36.709
flat angles C4'-P-C4' energy: -30.376
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -181.936930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.936930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.936930 (E_RNA)
where:
Base-Base interactions energy: -56.591
where: short stacking energy: -47.568
Base-Backbone interact. energy: 1.029
local terms energy: -126.374452
where:
bonds (distance) C4'-P energy: -34.184
bonds (distance) P-C4' energy: -41.061
flat angles C4'-P-C4' energy: -30.653
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: 3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -654.934124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.934124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.934124 (E_RNA)
where:
Base-Base interactions energy: -431.831
where: short stacking energy: -203.715
Base-Backbone interact. energy: -0.102
local terms energy: -223.001078
where:
bonds (distance) C4'-P energy: -43.365
bonds (distance) P-C4' energy: -42.651
flat angles C4'-P-C4' energy: -49.368
flat angles P-C4'-P energy: -28.507
tors. eta vs tors. theta energy: -59.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -663.318525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.318525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.318525 (E_RNA)
where:
Base-Base interactions energy: -432.939
where: short stacking energy: -187.894
Base-Backbone interact. energy: -1.511
local terms energy: -228.868090
where:
bonds (distance) C4'-P energy: -41.610
bonds (distance) P-C4' energy: -42.968
flat angles C4'-P-C4' energy: -49.128
flat angles P-C4'-P energy: -35.981
tors. eta vs tors. theta energy: -59.182
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: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -598.645541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.645541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.645541 (E_RNA)
where:
Base-Base interactions energy: -397.568
where: short stacking energy: -175.628
Base-Backbone interact. energy: -0.061
local terms energy: -201.017101
where:
bonds (distance) C4'-P energy: -38.107
bonds (distance) P-C4' energy: -40.843
flat angles C4'-P-C4' energy: -45.060
flat angles P-C4'-P energy: -27.640
tors. eta vs tors. theta energy: -49.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -500.161779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.161779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.161779 (E_RNA)
where:
Base-Base interactions energy: -304.335
where: short stacking energy: -169.605
Base-Backbone interact. energy: 0.613
local terms energy: -196.439484
where:
bonds (distance) C4'-P energy: -38.111
bonds (distance) P-C4' energy: -45.468
flat angles C4'-P-C4' energy: -42.107
flat angles P-C4'-P energy: -29.037
tors. eta vs tors. theta energy: -41.717
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: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -492.307200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.307200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.307200 (E_RNA)
where:
Base-Base interactions energy: -317.758
where: short stacking energy: -158.508
Base-Backbone interact. energy: -0.340
local terms energy: -174.209021
where:
bonds (distance) C4'-P energy: -36.031
bonds (distance) P-C4' energy: -38.896
flat angles C4'-P-C4' energy: -38.179
flat angles P-C4'-P energy: -25.043
tors. eta vs tors. theta energy: -36.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -392.945449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.945449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.945449 (E_RNA)
where:
Base-Base interactions energy: -231.819
where: short stacking energy: -94.291
Base-Backbone interact. energy: 3.289
local terms energy: -164.416158
where:
bonds (distance) C4'-P energy: -43.413
bonds (distance) P-C4' energy: -33.468
flat angles C4'-P-C4' energy: -39.514
flat angles P-C4'-P energy: -28.241
tors. eta vs tors. theta energy: -19.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -344.964604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.964604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.964604 (E_RNA)
where:
Base-Base interactions energy: -191.694
where: short stacking energy: -101.107
Base-Backbone interact. energy: 5.728
local terms energy: -158.998416
where:
bonds (distance) C4'-P energy: -29.587
bonds (distance) P-C4' energy: -40.074
flat angles C4'-P-C4' energy: -38.355
flat angles P-C4'-P energy: -30.614
tors. eta vs tors. theta energy: -20.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -207.211808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.211808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.211808 (E_RNA)
where:
Base-Base interactions energy: -69.868
where: short stacking energy: -61.478
Base-Backbone interact. energy: -0.045
local terms energy: -137.299190
where:
bonds (distance) C4'-P energy: -32.160
bonds (distance) P-C4' energy: -35.554
flat angles C4'-P-C4' energy: -39.911
flat angles P-C4'-P energy: -27.828
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -200.524381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.524381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.524381 (E_RNA)
where:
Base-Base interactions energy: -62.585
where: short stacking energy: -48.355
Base-Backbone interact. energy: -0.075
local terms energy: -137.863981
where:
bonds (distance) C4'-P energy: -39.067
bonds (distance) P-C4' energy: -46.779
flat angles C4'-P-C4' energy: -33.745
flat angles P-C4'-P energy: -14.504
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -182.906818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.906818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.906818 (E_RNA)
where:
Base-Base interactions energy: -65.740
where: short stacking energy: -57.661
Base-Backbone interact. energy: 1.126
local terms energy: -118.292907
where:
bonds (distance) C4'-P energy: -32.070
bonds (distance) P-C4' energy: -37.288
flat angles C4'-P-C4' energy: -24.853
flat angles P-C4'-P energy: -17.454
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -672.816596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.816596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.816596 (E_RNA)
where:
Base-Base interactions energy: -442.500
where: short stacking energy: -216.006
Base-Backbone interact. energy: -0.440
local terms energy: -229.876747
where:
bonds (distance) C4'-P energy: -41.297
bonds (distance) P-C4' energy: -47.973
flat angles C4'-P-C4' energy: -46.888
flat angles P-C4'-P energy: -30.938
tors. eta vs tors. theta energy: -62.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -663.319373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.319373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.319373 (E_RNA)
where:
Base-Base interactions energy: -453.360
where: short stacking energy: -197.605
Base-Backbone interact. energy: -0.996
local terms energy: -208.962651
where:
bonds (distance) C4'-P energy: -39.870
bonds (distance) P-C4' energy: -33.613
flat angles C4'-P-C4' energy: -45.239
flat angles P-C4'-P energy: -37.817
tors. eta vs tors. theta energy: -52.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -626.343623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.343623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.343623 (E_RNA)
where:
Base-Base interactions energy: -411.588
where: short stacking energy: -179.837
Base-Backbone interact. energy: -0.647
local terms energy: -214.109165
where:
bonds (distance) C4'-P energy: -41.870
bonds (distance) P-C4' energy: -42.661
flat angles C4'-P-C4' energy: -41.896
flat angles P-C4'-P energy: -33.991
tors. eta vs tors. theta energy: -53.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -566.782136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.782136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.782136 (E_RNA)
where:
Base-Base interactions energy: -367.373
where: short stacking energy: -171.798
Base-Backbone interact. energy: -0.635
local terms energy: -198.774093
where:
bonds (distance) C4'-P energy: -49.762
bonds (distance) P-C4' energy: -41.034
flat angles C4'-P-C4' energy: -42.438
flat angles P-C4'-P energy: -19.851
tors. eta vs tors. theta energy: -45.688
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: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -470.757397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.757397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.757397 (E_RNA)
where:
Base-Base interactions energy: -281.819
where: short stacking energy: -146.431
Base-Backbone interact. energy: -0.180
local terms energy: -188.758675
where:
bonds (distance) C4'-P energy: -39.534
bonds (distance) P-C4' energy: -44.479
flat angles C4'-P-C4' energy: -41.375
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -39.845
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: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -410.558239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.558239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.558239 (E_RNA)
where:
Base-Base interactions energy: -242.700
where: short stacking energy: -121.382
Base-Backbone interact. energy: 2.853
local terms energy: -170.711567
where:
bonds (distance) C4'-P energy: -38.113
bonds (distance) P-C4' energy: -30.733
flat angles C4'-P-C4' energy: -44.071
flat angles P-C4'-P energy: -28.156
tors. eta vs tors. theta energy: -29.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -350.500529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.500529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.500529 (E_RNA)
where:
Base-Base interactions energy: -183.640
where: short stacking energy: -109.384
Base-Backbone interact. energy: -0.322
local terms energy: -166.538459
where:
bonds (distance) C4'-P energy: -45.373
bonds (distance) P-C4' energy: -38.893
flat angles C4'-P-C4' energy: -39.564
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -13.574
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: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -207.008648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.008648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.008648 (E_RNA)
where:
Base-Base interactions energy: -71.322
where: short stacking energy: -48.182
Base-Backbone interact. energy: -0.927
local terms energy: -134.759019
where:
bonds (distance) C4'-P energy: -41.134
bonds (distance) P-C4' energy: -46.365
flat angles C4'-P-C4' energy: -34.383
flat angles P-C4'-P energy: -23.129
tors. eta vs tors. theta energy: 10.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -199.627087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.627087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.627087 (E_RNA)
where:
Base-Base interactions energy: -74.067
where: short stacking energy: -49.023
Base-Backbone interact. energy: 4.747
local terms energy: -130.306869
where:
bonds (distance) C4'-P energy: -37.821
bonds (distance) P-C4' energy: -45.970
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -17.511
tors. eta vs tors. theta energy: 5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -192.386552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.386552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.386552 (E_RNA)
where:
Base-Base interactions energy: -61.228
where: short stacking energy: -43.144
Base-Backbone interact. energy: -0.549
local terms energy: -130.609989
where:
bonds (distance) C4'-P energy: -41.579
bonds (distance) P-C4' energy: -40.170
flat angles C4'-P-C4' energy: -33.928
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: 3.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -666.958780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.958780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.958780 (E_RNA)
where:
Base-Base interactions energy: -449.359
where: short stacking energy: -196.414
Base-Backbone interact. energy: -0.147
local terms energy: -217.452692
where:
bonds (distance) C4'-P energy: -41.154
bonds (distance) P-C4' energy: -45.807
flat angles C4'-P-C4' energy: -49.921
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: -56.914
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: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -643.124718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.124718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.124718 (E_RNA)
where:
Base-Base interactions energy: -417.677
where: short stacking energy: -201.483
Base-Backbone interact. energy: -0.129
local terms energy: -225.318930
where:
bonds (distance) C4'-P energy: -40.371
bonds (distance) P-C4' energy: -43.087
flat angles C4'-P-C4' energy: -45.299
flat angles P-C4'-P energy: -36.299
tors. eta vs tors. theta energy: -60.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -616.292011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.292011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.292011 (E_RNA)
where:
Base-Base interactions energy: -400.503
where: short stacking energy: -179.979
Base-Backbone interact. energy: -0.463
local terms energy: -215.326718
where:
bonds (distance) C4'-P energy: -37.086
bonds (distance) P-C4' energy: -48.151
flat angles C4'-P-C4' energy: -45.032
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -54.099
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: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -564.722516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.722516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.722516 (E_RNA)
where:
Base-Base interactions energy: -359.343
where: short stacking energy: -169.766
Base-Backbone interact. energy: -0.060
local terms energy: -205.319800
where:
bonds (distance) C4'-P energy: -41.454
bonds (distance) P-C4' energy: -43.818
flat angles C4'-P-C4' energy: -39.671
flat angles P-C4'-P energy: -29.338
tors. eta vs tors. theta energy: -51.038
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: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -473.968929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.968929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.968929 (E_RNA)
where:
Base-Base interactions energy: -288.202
where: short stacking energy: -139.524
Base-Backbone interact. energy: 0.164
local terms energy: -185.930704
where:
bonds (distance) C4'-P energy: -33.354
bonds (distance) P-C4' energy: -47.341
flat angles C4'-P-C4' energy: -37.528
flat angles P-C4'-P energy: -31.877
tors. eta vs tors. theta energy: -35.831
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: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -403.858496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.858496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.858496 (E_RNA)
where:
Base-Base interactions energy: -218.682
where: short stacking energy: -116.242
Base-Backbone interact. energy: -0.558
local terms energy: -184.618356
where:
bonds (distance) C4'-P energy: -38.743
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -40.604
flat angles P-C4'-P energy: -24.794
tors. eta vs tors. theta energy: -33.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -308.201641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.201641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.201641 (E_RNA)
where:
Base-Base interactions energy: -162.594
where: short stacking energy: -97.294
Base-Backbone interact. energy: 2.868
local terms energy: -148.475385
where:
bonds (distance) C4'-P energy: -37.067
bonds (distance) P-C4' energy: -36.833
flat angles C4'-P-C4' energy: -37.486
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -18.998
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: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -211.283098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.283098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.283098 (E_RNA)
where:
Base-Base interactions energy: -78.069
where: short stacking energy: -66.139
Base-Backbone interact. energy: -0.569
local terms energy: -132.645388
where:
bonds (distance) C4'-P energy: -38.141
bonds (distance) P-C4' energy: -37.534
flat angles C4'-P-C4' energy: -34.280
flat angles P-C4'-P energy: -20.679
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: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -194.255078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.255078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.255078 (E_RNA)
where:
Base-Base interactions energy: -85.686
where: short stacking energy: -68.423
Base-Backbone interact. energy: 1.173
local terms energy: -109.742142
where:
bonds (distance) C4'-P energy: -28.902
bonds (distance) P-C4' energy: -31.566
flat angles C4'-P-C4' energy: -34.619
flat angles P-C4'-P energy: -12.712
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: 10, replica: 6
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -177.143595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.143595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.143595 (E_RNA)
where:
Base-Base interactions energy: -66.131
where: short stacking energy: -57.735
Base-Backbone interact. energy: -2.579
local terms energy: -108.433699
where:
bonds (distance) C4'-P energy: -35.819
bonds (distance) P-C4' energy: -39.316
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -20.535
tors. eta vs tors. theta energy: 6.351
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: 333
Temperature: 0.900000
Total energy: -665.248331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.248331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.248331 (E_RNA)
where:
Base-Base interactions energy: -444.863
where: short stacking energy: -188.379
Base-Backbone interact. energy: -0.494
local terms energy: -219.890430
where:
bonds (distance) C4'-P energy: -40.266
bonds (distance) P-C4' energy: -50.719
flat angles C4'-P-C4' energy: -45.659
flat angles P-C4'-P energy: -27.462
tors. eta vs tors. theta energy: -55.784
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: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -643.434061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.434061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.434061 (E_RNA)
where:
Base-Base interactions energy: -422.657
where: short stacking energy: -209.416
Base-Backbone interact. energy: 0.814
local terms energy: -221.590475
where:
bonds (distance) C4'-P energy: -41.488
bonds (distance) P-C4' energy: -44.486
flat angles C4'-P-C4' energy: -46.476
flat angles P-C4'-P energy: -29.483
tors. eta vs tors. theta energy: -59.657
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: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -612.613138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.613138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.613138 (E_RNA)
where:
Base-Base interactions energy: -407.187
where: short stacking energy: -187.629
Base-Backbone interact. energy: -0.317
local terms energy: -205.109232
where:
bonds (distance) C4'-P energy: -38.698
bonds (distance) P-C4' energy: -38.343
flat angles C4'-P-C4' energy: -46.724
flat angles P-C4'-P energy: -27.538
tors. eta vs tors. theta energy: -53.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -579.784602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.784602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.784602 (E_RNA)
where:
Base-Base interactions energy: -368.339
where: short stacking energy: -188.635
Base-Backbone interact. energy: -0.262
local terms energy: -211.184090
where:
bonds (distance) C4'-P energy: -38.167
bonds (distance) P-C4' energy: -41.945
flat angles C4'-P-C4' energy: -50.435
flat angles P-C4'-P energy: -26.137
tors. eta vs tors. theta energy: -54.500
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: 333
Temperature: 1.100000
Total energy: -459.717683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.717683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.717683 (E_RNA)
where:
Base-Base interactions energy: -281.590
where: short stacking energy: -139.282
Base-Backbone interact. energy: -0.724
local terms energy: -177.403037
where:
bonds (distance) C4'-P energy: -43.466
bonds (distance) P-C4' energy: -41.986
flat angles C4'-P-C4' energy: -38.733
flat angles P-C4'-P energy: -25.984
tors. eta vs tors. theta energy: -27.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -319.307333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.307333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.307333 (E_RNA)
where:
Base-Base interactions energy: -160.230
where: short stacking energy: -101.292
Base-Backbone interact. energy: -0.318
local terms energy: -158.759254
where:
bonds (distance) C4'-P energy: -42.427
bonds (distance) P-C4' energy: -40.894
flat angles C4'-P-C4' energy: -38.900
flat angles P-C4'-P energy: -21.778
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -375.345764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.345764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.345764 (E_RNA)
where:
Base-Base interactions energy: -236.696
where: short stacking energy: -107.113
Base-Backbone interact. energy: -0.087
local terms energy: -138.563380
where:
bonds (distance) C4'-P energy: -37.601
bonds (distance) P-C4' energy: -40.115
flat angles C4'-P-C4' energy: -27.304
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -13.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -224.656897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.656897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.656897 (E_RNA)
where:
Base-Base interactions energy: -80.651
where: short stacking energy: -69.958
Base-Backbone interact. energy: 0.273
local terms energy: -144.278312
where:
bonds (distance) C4'-P energy: -41.096
bonds (distance) P-C4' energy: -40.003
flat angles C4'-P-C4' energy: -32.475
flat angles P-C4'-P energy: -26.705
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -194.791130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.791130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.791130 (E_RNA)
where:
Base-Base interactions energy: -85.258
where: short stacking energy: -81.879
Base-Backbone interact. energy: -0.194
local terms energy: -109.339916
where:
bonds (distance) C4'-P energy: -30.766
bonds (distance) P-C4' energy: -39.762
flat angles C4'-P-C4' energy: -21.923
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -192.204556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.204556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.204556 (E_RNA)
where:
Base-Base interactions energy: -69.978
where: short stacking energy: -53.905
Base-Backbone interact. energy: -1.651
local terms energy: -120.575312
where:
bonds (distance) C4'-P energy: -33.965
bonds (distance) P-C4' energy: -33.494
flat angles C4'-P-C4' energy: -38.346
flat angles P-C4'-P energy: -23.401
tors. eta vs tors. theta energy: 8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -658.953297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.953297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.953297 (E_RNA)
where:
Base-Base interactions energy: -427.844
where: short stacking energy: -205.157
Base-Backbone interact. energy: -0.063
local terms energy: -231.046719
where:
bonds (distance) C4'-P energy: -47.442
bonds (distance) P-C4' energy: -42.371
flat angles C4'-P-C4' energy: -45.696
flat angles P-C4'-P energy: -36.340
tors. eta vs tors. theta energy: -59.198
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: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -657.074933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.074933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.074933 (E_RNA)
where:
Base-Base interactions energy: -435.713
where: short stacking energy: -184.982
Base-Backbone interact. energy: -1.456
local terms energy: -219.905813
where:
bonds (distance) C4'-P energy: -38.257
bonds (distance) P-C4' energy: -44.793
flat angles C4'-P-C4' energy: -48.629
flat angles P-C4'-P energy: -29.064
tors. eta vs tors. theta energy: -59.162
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: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -603.078395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.078395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.078395 (E_RNA)
where:
Base-Base interactions energy: -393.658
where: short stacking energy: -168.934
Base-Backbone interact. energy: -0.670
local terms energy: -208.750798
where:
bonds (distance) C4'-P energy: -40.145
bonds (distance) P-C4' energy: -43.012
flat angles C4'-P-C4' energy: -46.718
flat angles P-C4'-P energy: -26.655
tors. eta vs tors. theta energy: -52.221
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: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -573.782684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.782684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.782684 (E_RNA)
where:
Base-Base interactions energy: -375.758
where: short stacking energy: -196.026
Base-Backbone interact. energy: 2.400
local terms energy: -200.424832
where:
bonds (distance) C4'-P energy: -35.735
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -38.819
flat angles P-C4'-P energy: -21.995
tors. eta vs tors. theta energy: -59.553
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: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -466.559934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.559934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.559934 (E_RNA)
where:
Base-Base interactions energy: -281.184
where: short stacking energy: -136.858
Base-Backbone interact. energy: -0.501
local terms energy: -184.874984
where:
bonds (distance) C4'-P energy: -39.716
bonds (distance) P-C4' energy: -46.783
flat angles C4'-P-C4' energy: -35.101
flat angles P-C4'-P energy: -30.690
tors. eta vs tors. theta energy: -32.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -306.161920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.161920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.161920 (E_RNA)
where:
Base-Base interactions energy: -158.246
where: short stacking energy: -87.953
Base-Backbone interact. energy: 1.371
local terms energy: -149.286340
where:
bonds (distance) C4'-P energy: -39.374
bonds (distance) P-C4' energy: -44.102
flat angles C4'-P-C4' energy: -37.369
flat angles P-C4'-P energy: -16.906
tors. eta vs tors. theta energy: -11.535
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: 334
Temperature: 1.200000
Total energy: -384.148018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.148018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.148018 (E_RNA)
where:
Base-Base interactions energy: -227.462
where: short stacking energy: -114.290
Base-Backbone interact. energy: -0.370
local terms energy: -156.315966
where:
bonds (distance) C4'-P energy: -29.661
bonds (distance) P-C4' energy: -42.588
flat angles C4'-P-C4' energy: -30.725
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -29.027
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: 2
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -198.785827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.785827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.785827 (E_RNA)
where:
Base-Base interactions energy: -69.414
where: short stacking energy: -50.013
Base-Backbone interact. energy: 2.406
local terms energy: -131.777723
where:
bonds (distance) C4'-P energy: -41.562
bonds (distance) P-C4' energy: -31.858
flat angles C4'-P-C4' energy: -38.512
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: 4.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -217.428599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.428599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.428599 (E_RNA)
where:
Base-Base interactions energy: -97.535
where: short stacking energy: -67.396
Base-Backbone interact. energy: 1.775
local terms energy: -121.669252
where:
bonds (distance) C4'-P energy: -24.241
bonds (distance) P-C4' energy: -44.025
flat angles C4'-P-C4' energy: -33.041
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: 1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -199.226609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.226609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.226609 (E_RNA)
where:
Base-Base interactions energy: -63.523
where: short stacking energy: -39.670
Base-Backbone interact. energy: 0.184
local terms energy: -135.887841
where:
bonds (distance) C4'-P energy: -34.940
bonds (distance) P-C4' energy: -40.506
flat angles C4'-P-C4' energy: -43.587
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: 0.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -668.029865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.029865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.029865 (E_RNA)
where:
Base-Base interactions energy: -433.975
where: short stacking energy: -202.223
Base-Backbone interact. energy: 0.203
local terms energy: -234.257513
where:
bonds (distance) C4'-P energy: -48.378
bonds (distance) P-C4' energy: -45.252
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -31.270
tors. eta vs tors. theta energy: -60.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -644.271997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.271997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.271997 (E_RNA)
where:
Base-Base interactions energy: -421.641
where: short stacking energy: -199.224
Base-Backbone interact. energy: -1.870
local terms energy: -220.761726
where:
bonds (distance) C4'-P energy: -44.060
bonds (distance) P-C4' energy: -47.090
flat angles C4'-P-C4' energy: -51.280
flat angles P-C4'-P energy: -23.545
tors. eta vs tors. theta energy: -54.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -601.142061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.142061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.142061 (E_RNA)
where:
Base-Base interactions energy: -389.834
where: short stacking energy: -173.038
Base-Backbone interact. energy: -0.223
local terms energy: -211.084653
where:
bonds (distance) C4'-P energy: -38.536
bonds (distance) P-C4' energy: -47.814
flat angles C4'-P-C4' energy: -42.974
flat angles P-C4'-P energy: -32.746
tors. eta vs tors. theta energy: -49.013
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: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -570.580910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.580910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.580910 (E_RNA)
where:
Base-Base interactions energy: -375.333
where: short stacking energy: -180.158
Base-Backbone interact. energy: -0.420
local terms energy: -194.828131
where:
bonds (distance) C4'-P energy: -35.323
bonds (distance) P-C4' energy: -34.768
flat angles C4'-P-C4' energy: -48.076
flat angles P-C4'-P energy: -27.065
tors. eta vs tors. theta energy: -49.596
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: 5, replica: 4
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -486.098976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.098976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.098976 (E_RNA)
where:
Base-Base interactions energy: -288.868
where: short stacking energy: -137.649
Base-Backbone interact. energy: 0.042
local terms energy: -197.272852
where:
bonds (distance) C4'-P energy: -43.407
bonds (distance) P-C4' energy: -39.613
flat angles C4'-P-C4' energy: -44.221
flat angles P-C4'-P energy: -34.490
tors. eta vs tors. theta energy: -35.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -411.241327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.241327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.241327 (E_RNA)
where:
Base-Base interactions energy: -242.689
where: short stacking energy: -120.895
Base-Backbone interact. energy: 0.007
local terms energy: -168.558581
where:
bonds (distance) C4'-P energy: -31.775
bonds (distance) P-C4' energy: -37.843
flat angles C4'-P-C4' energy: -43.947
flat angles P-C4'-P energy: -28.244
tors. eta vs tors. theta energy: -26.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -306.906857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.906857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.906857 (E_RNA)
where:
Base-Base interactions energy: -156.987
where: short stacking energy: -96.704
Base-Backbone interact. energy: -0.814
local terms energy: -149.106414
where:
bonds (distance) C4'-P energy: -37.300
bonds (distance) P-C4' energy: -34.363
flat angles C4'-P-C4' energy: -31.469
flat angles P-C4'-P energy: -28.515
tors. eta vs tors. theta energy: -17.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -247.525371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.525371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.525371 (E_RNA)
where:
Base-Base interactions energy: -106.611
where: short stacking energy: -61.803
Base-Backbone interact. energy: -0.743
local terms energy: -140.171407
where:
bonds (distance) C4'-P energy: -37.447
bonds (distance) P-C4' energy: -42.861
flat angles C4'-P-C4' energy: -30.118
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -229.997661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.997661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.997661 (E_RNA)
where:
Base-Base interactions energy: -121.168
where: short stacking energy: -66.687
Base-Backbone interact. energy: 0.273
local terms energy: -109.102686
where:
bonds (distance) C4'-P energy: -23.497
bonds (distance) P-C4' energy: -35.715
flat angles C4'-P-C4' energy: -37.543
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: 2.403
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: 6
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -204.398934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.398934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.398934 (E_RNA)
where:
Base-Base interactions energy: -63.666
where: short stacking energy: -62.735
Base-Backbone interact. energy: -1.068
local terms energy: -139.665684
where:
bonds (distance) C4'-P energy: -36.314
bonds (distance) P-C4' energy: -39.666
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -25.225
tors. eta vs tors. theta energy: -6.621
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: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -668.827117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.827117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.827117 (E_RNA)
where:
Base-Base interactions energy: -454.840
where: short stacking energy: -202.231
Base-Backbone interact. energy: -0.628
local terms energy: -213.358805
where:
bonds (distance) C4'-P energy: -37.095
bonds (distance) P-C4' energy: -46.539
flat angles C4'-P-C4' energy: -40.683
flat angles P-C4'-P energy: -26.471
tors. eta vs tors. theta energy: -62.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -644.754677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.754677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.754677 (E_RNA)
where:
Base-Base interactions energy: -420.986
where: short stacking energy: -187.923
Base-Backbone interact. energy: -0.874
local terms energy: -222.895010
where:
bonds (distance) C4'-P energy: -47.341
bonds (distance) P-C4' energy: -38.097
flat angles C4'-P-C4' energy: -43.054
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -59.657
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: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -597.530655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.530655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.530655 (E_RNA)
where:
Base-Base interactions energy: -395.322
where: short stacking energy: -184.187
Base-Backbone interact. energy: -0.602
local terms energy: -201.606893
where:
bonds (distance) C4'-P energy: -32.895
bonds (distance) P-C4' energy: -41.365
flat angles C4'-P-C4' energy: -39.287
flat angles P-C4'-P energy: -35.557
tors. eta vs tors. theta energy: -52.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -570.567595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.567595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.567595 (E_RNA)
where:
Base-Base interactions energy: -372.393
where: short stacking energy: -162.434
Base-Backbone interact. energy: -0.333
local terms energy: -197.842041
where:
bonds (distance) C4'-P energy: -36.630
bonds (distance) P-C4' energy: -40.779
flat angles C4'-P-C4' energy: -41.258
flat angles P-C4'-P energy: -29.191
tors. eta vs tors. theta energy: -49.984
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: 4
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -455.482305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.482305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.482305 (E_RNA)
where:
Base-Base interactions energy: -261.961
where: short stacking energy: -135.583
Base-Backbone interact. energy: -0.057
local terms energy: -193.464416
where:
bonds (distance) C4'-P energy: -39.707
bonds (distance) P-C4' energy: -43.731
flat angles C4'-P-C4' energy: -43.898
flat angles P-C4'-P energy: -34.165
tors. eta vs tors. theta energy: -31.963
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: 336
Temperature: 1.150000
Total energy: -429.783334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.783334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.783334 (E_RNA)
where:
Base-Base interactions energy: -255.832
where: short stacking energy: -134.804
Base-Backbone interact. energy: -0.222
local terms energy: -173.729434
where:
bonds (distance) C4'-P energy: -33.191
bonds (distance) P-C4' energy: -34.194
flat angles C4'-P-C4' energy: -36.603
flat angles P-C4'-P energy: -27.674
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: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -296.525251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.525251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.525251 (E_RNA)
where:
Base-Base interactions energy: -150.438
where: short stacking energy: -74.036
Base-Backbone interact. energy: 0.426
local terms energy: -146.512752
where:
bonds (distance) C4'-P energy: -44.950
bonds (distance) P-C4' energy: -39.223
flat angles C4'-P-C4' energy: -34.758
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -4.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -195.130507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.130507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.130507 (E_RNA)
where:
Base-Base interactions energy: -77.821
where: short stacking energy: -61.074
Base-Backbone interact. energy: -0.674
local terms energy: -116.635531
where:
bonds (distance) C4'-P energy: -36.496
bonds (distance) P-C4' energy: -35.685
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -25.598
tors. eta vs tors. theta energy: 4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -221.410067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.410067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.410067 (E_RNA)
where:
Base-Base interactions energy: -72.444
where: short stacking energy: -68.864
Base-Backbone interact. energy: 0.070
local terms energy: -149.035742
where:
bonds (distance) C4'-P energy: -40.090
bonds (distance) P-C4' energy: -47.600
flat angles C4'-P-C4' energy: -32.664
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -4.870
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: 10, replica: 6
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -173.737663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.737663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.737663 (E_RNA)
where:
Base-Base interactions energy: -60.045
where: short stacking energy: -54.631
Base-Backbone interact. energy: -0.329
local terms energy: -113.363421
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -34.745
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -18.191
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: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -647.180271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.180271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.180271 (E_RNA)
where:
Base-Base interactions energy: -410.036
where: short stacking energy: -193.331
Base-Backbone interact. energy: -2.646
local terms energy: -234.498790
where:
bonds (distance) C4'-P energy: -48.352
bonds (distance) P-C4' energy: -43.131
flat angles C4'-P-C4' energy: -52.261
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -61.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -646.559147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.559147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.559147 (E_RNA)
where:
Base-Base interactions energy: -420.096
where: short stacking energy: -192.281
Base-Backbone interact. energy: -1.811
local terms energy: -224.652138
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -43.236
flat angles C4'-P-C4' energy: -51.184
flat angles P-C4'-P energy: -32.215
tors. eta vs tors. theta energy: -55.235
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: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -595.067505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.067505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.067505 (E_RNA)
where:
Base-Base interactions energy: -382.229
where: short stacking energy: -168.990
Base-Backbone interact. energy: -1.096
local terms energy: -211.742613
where:
bonds (distance) C4'-P energy: -42.851
bonds (distance) P-C4' energy: -45.719
flat angles C4'-P-C4' energy: -46.313
flat angles P-C4'-P energy: -25.843
tors. eta vs tors. theta energy: -51.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -554.756305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.756305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.756305 (E_RNA)
where:
Base-Base interactions energy: -357.515
where: short stacking energy: -159.172
Base-Backbone interact. energy: -0.227
local terms energy: -197.014750
where:
bonds (distance) C4'-P energy: -38.574
bonds (distance) P-C4' energy: -38.627
flat angles C4'-P-C4' energy: -41.955
flat angles P-C4'-P energy: -28.137
tors. eta vs tors. theta energy: -49.721
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: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -454.869051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.869051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.869051 (E_RNA)
where:
Base-Base interactions energy: -270.998
where: short stacking energy: -124.140
Base-Backbone interact. energy: 2.995
local terms energy: -186.865990
where:
bonds (distance) C4'-P energy: -40.103
bonds (distance) P-C4' energy: -44.321
flat angles C4'-P-C4' energy: -40.930
flat angles P-C4'-P energy: -22.046
tors. eta vs tors. theta energy: -39.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -439.014951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.014951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.014951 (E_RNA)
where:
Base-Base interactions energy: -245.091
where: short stacking energy: -124.586
Base-Backbone interact. energy: -0.150
local terms energy: -193.774245
where:
bonds (distance) C4'-P energy: -33.966
bonds (distance) P-C4' energy: -47.800
flat angles C4'-P-C4' energy: -43.705
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: -41.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -316.146382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.146382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.146382 (E_RNA)
where:
Base-Base interactions energy: -173.012
where: short stacking energy: -102.916
Base-Backbone interact. energy: -0.461
local terms energy: -142.673150
where:
bonds (distance) C4'-P energy: -26.618
bonds (distance) P-C4' energy: -38.315
flat angles C4'-P-C4' energy: -32.404
flat angles P-C4'-P energy: -18.056
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: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -209.482376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.482376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.482376 (E_RNA)
where:
Base-Base interactions energy: -64.712
where: short stacking energy: -58.751
Base-Backbone interact. energy: -1.051
local terms energy: -143.719489
where:
bonds (distance) C4'-P energy: -36.934
bonds (distance) P-C4' energy: -42.220
flat angles C4'-P-C4' energy: -27.519
flat angles P-C4'-P energy: -25.804
tors. eta vs tors. theta energy: -11.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -196.927213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.927213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.927213 (E_RNA)
where:
Base-Base interactions energy: -56.234
where: short stacking energy: -51.818
Base-Backbone interact. energy: -0.066
local terms energy: -140.628146
where:
bonds (distance) C4'-P energy: -34.499
bonds (distance) P-C4' energy: -46.833
flat angles C4'-P-C4' energy: -31.410
flat angles P-C4'-P energy: -27.072
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: 10, replica: 6
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -202.361478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.361478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.361478 (E_RNA)
where:
Base-Base interactions energy: -96.392
where: short stacking energy: -69.178
Base-Backbone interact. energy: -0.216
local terms energy: -105.753217
where:
bonds (distance) C4'-P energy: -37.179
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -28.442
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -651.783486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.783486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.783486 (E_RNA)
where:
Base-Base interactions energy: -437.831
where: short stacking energy: -193.315
Base-Backbone interact. energy: -0.430
local terms energy: -213.522086
where:
bonds (distance) C4'-P energy: -47.243
bonds (distance) P-C4' energy: -44.198
flat angles C4'-P-C4' energy: -41.814
flat angles P-C4'-P energy: -26.998
tors. eta vs tors. theta energy: -53.268
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: 5
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -636.064829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.064829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.064829 (E_RNA)
where:
Base-Base interactions energy: -411.677
where: short stacking energy: -201.477
Base-Backbone interact. energy: -0.572
local terms energy: -223.815793
where:
bonds (distance) C4'-P energy: -43.350
bonds (distance) P-C4' energy: -45.757
flat angles C4'-P-C4' energy: -45.722
flat angles P-C4'-P energy: -35.619
tors. eta vs tors. theta energy: -53.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -582.286337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.286337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.286337 (E_RNA)
where:
Base-Base interactions energy: -373.196
where: short stacking energy: -176.572
Base-Backbone interact. energy: -0.105
local terms energy: -208.984925
where:
bonds (distance) C4'-P energy: -37.533
bonds (distance) P-C4' energy: -41.521
flat angles C4'-P-C4' energy: -41.309
flat angles P-C4'-P energy: -33.540
tors. eta vs tors. theta energy: -55.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -538.838670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.838670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.838670 (E_RNA)
where:
Base-Base interactions energy: -355.181
where: short stacking energy: -156.886
Base-Backbone interact. energy: -0.805
local terms energy: -182.852906
where:
bonds (distance) C4'-P energy: -34.251
bonds (distance) P-C4' energy: -38.322
flat angles C4'-P-C4' energy: -44.858
flat angles P-C4'-P energy: -34.136
tors. eta vs tors. theta energy: -31.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -484.102142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.102142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.102142 (E_RNA)
where:
Base-Base interactions energy: -279.254
where: short stacking energy: -133.726
Base-Backbone interact. energy: 1.756
local terms energy: -206.603411
where:
bonds (distance) C4'-P energy: -46.518
bonds (distance) P-C4' energy: -43.756
flat angles C4'-P-C4' energy: -44.942
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -40.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -436.497296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.497296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.497296 (E_RNA)
where:
Base-Base interactions energy: -271.214
where: short stacking energy: -131.864
Base-Backbone interact. energy: -0.746
local terms energy: -164.536941
where:
bonds (distance) C4'-P energy: -30.477
bonds (distance) P-C4' energy: -33.698
flat angles C4'-P-C4' energy: -41.540
flat angles P-C4'-P energy: -26.820
tors. eta vs tors. theta energy: -32.002
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: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -311.961788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.961788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.961788 (E_RNA)
where:
Base-Base interactions energy: -163.450
where: short stacking energy: -102.120
Base-Backbone interact. energy: 0.031
local terms energy: -148.542755
where:
bonds (distance) C4'-P energy: -38.656
bonds (distance) P-C4' energy: -40.365
flat angles C4'-P-C4' energy: -37.140
flat angles P-C4'-P energy: -16.587
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -203.443853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.443853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.443853 (E_RNA)
where:
Base-Base interactions energy: -80.074
where: short stacking energy: -61.283
Base-Backbone interact. energy: -0.296
local terms energy: -123.073253
where:
bonds (distance) C4'-P energy: -36.292
bonds (distance) P-C4' energy: -35.515
flat angles C4'-P-C4' energy: -34.148
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: 0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -206.285559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.285559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.285559 (E_RNA)
where:
Base-Base interactions energy: -70.277
where: short stacking energy: -66.386
Base-Backbone interact. energy: -1.288
local terms energy: -134.720271
where:
bonds (distance) C4'-P energy: -42.110
bonds (distance) P-C4' energy: -31.639
flat angles C4'-P-C4' energy: -33.099
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -4.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -179.934483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.934483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.934483 (E_RNA)
where:
Base-Base interactions energy: -57.923
where: short stacking energy: -48.789
Base-Backbone interact. energy: 0.005
local terms energy: -122.016289
where:
bonds (distance) C4'-P energy: -41.277
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -25.520
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: 3.098
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: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -666.973575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.973575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.973575 (E_RNA)
where:
Base-Base interactions energy: -443.969
where: short stacking energy: -206.138
Base-Backbone interact. energy: -1.073
local terms energy: -221.931440
where:
bonds (distance) C4'-P energy: -49.173
bonds (distance) P-C4' energy: -37.800
flat angles C4'-P-C4' energy: -45.385
flat angles P-C4'-P energy: -30.055
tors. eta vs tors. theta energy: -59.519
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: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -604.100382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.100382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.100382 (E_RNA)
where:
Base-Base interactions energy: -390.282
where: short stacking energy: -180.005
Base-Backbone interact. energy: -0.543
local terms energy: -213.275744
where:
bonds (distance) C4'-P energy: -38.772
bonds (distance) P-C4' energy: -44.091
flat angles C4'-P-C4' energy: -48.046
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -48.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -617.146035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.146035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.146035 (E_RNA)
where:
Base-Base interactions energy: -407.189
where: short stacking energy: -192.172
Base-Backbone interact. energy: 0.703
local terms energy: -210.660588
where:
bonds (distance) C4'-P energy: -38.768
bonds (distance) P-C4' energy: -39.871
flat angles C4'-P-C4' energy: -44.510
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -51.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -550.074194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.074194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.074194 (E_RNA)
where:
Base-Base interactions energy: -357.084
where: short stacking energy: -170.908
Base-Backbone interact. energy: 0.772
local terms energy: -193.762415
where:
bonds (distance) C4'-P energy: -30.992
bonds (distance) P-C4' energy: -38.330
flat angles C4'-P-C4' energy: -45.163
flat angles P-C4'-P energy: -33.404
tors. eta vs tors. theta energy: -45.873
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: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -476.648353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.648353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.648353 (E_RNA)
where:
Base-Base interactions energy: -290.657
where: short stacking energy: -153.020
Base-Backbone interact. energy: -0.755
local terms energy: -185.236739
where:
bonds (distance) C4'-P energy: -32.257
bonds (distance) P-C4' energy: -42.339
flat angles C4'-P-C4' energy: -46.219
flat angles P-C4'-P energy: -28.029
tors. eta vs tors. theta energy: -36.392
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: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -479.713630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.713630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.713630 (E_RNA)
where:
Base-Base interactions energy: -288.340
where: short stacking energy: -137.275
Base-Backbone interact. energy: -0.645
local terms energy: -190.728896
where:
bonds (distance) C4'-P energy: -45.791
bonds (distance) P-C4' energy: -40.945
flat angles C4'-P-C4' energy: -44.797
flat angles P-C4'-P energy: -24.266
tors. eta vs tors. theta energy: -34.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -291.298905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.298905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.298905 (E_RNA)
where:
Base-Base interactions energy: -143.777
where: short stacking energy: -83.375
Base-Backbone interact. energy: -1.455
local terms energy: -146.067267
where:
bonds (distance) C4'-P energy: -37.515
bonds (distance) P-C4' energy: -41.776
flat angles C4'-P-C4' energy: -38.989
flat angles P-C4'-P energy: -23.273
tors. eta vs tors. theta energy: -4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -228.568009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.568009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.568009 (E_RNA)
where:
Base-Base interactions energy: -98.544
where: short stacking energy: -56.526
Base-Backbone interact. energy: 1.504
local terms energy: -131.528072
where:
bonds (distance) C4'-P energy: -41.877
bonds (distance) P-C4' energy: -39.536
flat angles C4'-P-C4' energy: -25.519
flat angles P-C4'-P energy: -22.965
tors. eta vs tors. theta energy: -1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -196.277397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.277397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.277397 (E_RNA)
where:
Base-Base interactions energy: -69.020
where: short stacking energy: -65.141
Base-Backbone interact. energy: 5.694
local terms energy: -132.951882
where:
bonds (distance) C4'-P energy: -40.803
bonds (distance) P-C4' energy: -41.075
flat angles C4'-P-C4' energy: -38.222
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -181.420239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.420239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.420239 (E_RNA)
where:
Base-Base interactions energy: -65.629
where: short stacking energy: -65.629
Base-Backbone interact. energy: 2.215
local terms energy: -118.005889
where:
bonds (distance) C4'-P energy: -33.556
bonds (distance) P-C4' energy: -35.470
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -4.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -647.069648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.069648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.069648 (E_RNA)
where:
Base-Base interactions energy: -422.298
where: short stacking energy: -194.319
Base-Backbone interact. energy: -0.913
local terms energy: -223.859334
where:
bonds (distance) C4'-P energy: -48.561
bonds (distance) P-C4' energy: -45.846
flat angles C4'-P-C4' energy: -41.022
flat angles P-C4'-P energy: -32.064
tors. eta vs tors. theta energy: -56.366
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: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -604.584385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.584385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.584385 (E_RNA)
where:
Base-Base interactions energy: -384.793
where: short stacking energy: -181.283
Base-Backbone interact. energy: -0.714
local terms energy: -219.077186
where:
bonds (distance) C4'-P energy: -45.741
bonds (distance) P-C4' energy: -43.861
flat angles C4'-P-C4' energy: -45.765
flat angles P-C4'-P energy: -38.620
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: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -592.885300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.885300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.885300 (E_RNA)
where:
Base-Base interactions energy: -390.278
where: short stacking energy: -173.711
Base-Backbone interact. energy: 0.535
local terms energy: -203.142419
where:
bonds (distance) C4'-P energy: -44.121
bonds (distance) P-C4' energy: -43.168
flat angles C4'-P-C4' energy: -41.795
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -46.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -556.689290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.689290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.689290 (E_RNA)
where:
Base-Base interactions energy: -372.469
where: short stacking energy: -173.115
Base-Backbone interact. energy: -0.994
local terms energy: -183.226574
where:
bonds (distance) C4'-P energy: -25.719
bonds (distance) P-C4' energy: -40.534
flat angles C4'-P-C4' energy: -41.668
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -38.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -483.598774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.598774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.598774 (E_RNA)
where:
Base-Base interactions energy: -302.545
where: short stacking energy: -141.849
Base-Backbone interact. energy: -0.597
local terms energy: -180.456459
where:
bonds (distance) C4'-P energy: -36.770
bonds (distance) P-C4' energy: -41.184
flat angles C4'-P-C4' energy: -36.008
flat angles P-C4'-P energy: -29.030
tors. eta vs tors. theta energy: -37.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -435.510617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.510617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.510617 (E_RNA)
where:
Base-Base interactions energy: -271.240
where: short stacking energy: -118.234
Base-Backbone interact. energy: 0.285
local terms energy: -164.555526
where:
bonds (distance) C4'-P energy: -39.960
bonds (distance) P-C4' energy: -43.883
flat angles C4'-P-C4' energy: -42.790
flat angles P-C4'-P energy: -19.780
tors. eta vs tors. theta energy: -18.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -233.553256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.553256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.553256 (E_RNA)
where:
Base-Base interactions energy: -76.993
where: short stacking energy: -65.494
Base-Backbone interact. energy: -0.523
local terms energy: -156.036602
where:
bonds (distance) C4'-P energy: -46.859
bonds (distance) P-C4' energy: -37.190
flat angles C4'-P-C4' energy: -37.668
flat angles P-C4'-P energy: -19.104
tors. eta vs tors. theta energy: -15.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -271.258202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.258202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.258202 (E_RNA)
where:
Base-Base interactions energy: -126.441
where: short stacking energy: -69.302
Base-Backbone interact. energy: 0.389
local terms energy: -145.206198
where:
bonds (distance) C4'-P energy: -38.536
bonds (distance) P-C4' energy: -43.290
flat angles C4'-P-C4' energy: -33.079
flat angles P-C4'-P energy: -22.862
tors. eta vs tors. theta energy: -7.439
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: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -181.267770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.267770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.267770 (E_RNA)
where:
Base-Base interactions energy: -54.350
where: short stacking energy: -46.421
Base-Backbone interact. energy: -0.773
local terms energy: -126.144783
where:
bonds (distance) C4'-P energy: -32.107
bonds (distance) P-C4' energy: -41.779
flat angles C4'-P-C4' energy: -33.406
flat angles P-C4'-P energy: -24.057
tors. eta vs tors. theta energy: 5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -195.985062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.985062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.985062 (E_RNA)
where:
Base-Base interactions energy: -65.342
where: short stacking energy: -58.120
Base-Backbone interact. energy: -2.389
local terms energy: -128.254149
where:
bonds (distance) C4'-P energy: -28.175
bonds (distance) P-C4' energy: -42.408
flat angles C4'-P-C4' energy: -27.725
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -653.261835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.261835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.261835 (E_RNA)
where:
Base-Base interactions energy: -432.127
where: short stacking energy: -195.197
Base-Backbone interact. energy: -2.819
local terms energy: -218.316096
where:
bonds (distance) C4'-P energy: -42.084
bonds (distance) P-C4' energy: -48.479
flat angles C4'-P-C4' energy: -43.593
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: -56.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -617.219485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.219485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.219485 (E_RNA)
where:
Base-Base interactions energy: -402.301
where: short stacking energy: -186.059
Base-Backbone interact. energy: -0.231
local terms energy: -214.687410
where:
bonds (distance) C4'-P energy: -36.018
bonds (distance) P-C4' energy: -46.858
flat angles C4'-P-C4' energy: -50.262
flat angles P-C4'-P energy: -29.371
tors. eta vs tors. theta energy: -52.179
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: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -585.808401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.808401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.808401 (E_RNA)
where:
Base-Base interactions energy: -389.812
where: short stacking energy: -179.599
Base-Backbone interact. energy: -0.793
local terms energy: -195.204235
where:
bonds (distance) C4'-P energy: -38.864
bonds (distance) P-C4' energy: -40.732
flat angles C4'-P-C4' energy: -41.380
flat angles P-C4'-P energy: -27.492
tors. eta vs tors. theta energy: -46.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -506.725076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.725076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.725076 (E_RNA)
where:
Base-Base interactions energy: -317.968
where: short stacking energy: -145.783
Base-Backbone interact. energy: 0.040
local terms energy: -188.796431
where:
bonds (distance) C4'-P energy: -29.590
bonds (distance) P-C4' energy: -46.148
flat angles C4'-P-C4' energy: -46.581
flat angles P-C4'-P energy: -25.884
tors. eta vs tors. theta energy: -40.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -519.372621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.372621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.372621 (E_RNA)
where:
Base-Base interactions energy: -329.768
where: short stacking energy: -152.299
Base-Backbone interact. energy: -0.304
local terms energy: -189.300160
where:
bonds (distance) C4'-P energy: -41.584
bonds (distance) P-C4' energy: -35.046
flat angles C4'-P-C4' energy: -39.123
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -38.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -399.920333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.920333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.920333 (E_RNA)
where:
Base-Base interactions energy: -239.145
where: short stacking energy: -119.159
Base-Backbone interact. energy: -0.525
local terms energy: -160.250862
where:
bonds (distance) C4'-P energy: -30.206
bonds (distance) P-C4' energy: -43.559
flat angles C4'-P-C4' energy: -34.246
flat angles P-C4'-P energy: -26.797
tors. eta vs tors. theta energy: -25.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -229.163742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.163742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.163742 (E_RNA)
where:
Base-Base interactions energy: -82.363
where: short stacking energy: -77.821
Base-Backbone interact. energy: -0.645
local terms energy: -146.155705
where:
bonds (distance) C4'-P energy: -36.351
bonds (distance) P-C4' energy: -42.103
flat angles C4'-P-C4' energy: -33.461
flat angles P-C4'-P energy: -24.570
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -303.814610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.814610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.814610 (E_RNA)
where:
Base-Base interactions energy: -154.885
where: short stacking energy: -74.591
Base-Backbone interact. energy: -0.794
local terms energy: -148.135168
where:
bonds (distance) C4'-P energy: -40.707
bonds (distance) P-C4' energy: -44.778
flat angles C4'-P-C4' energy: -37.147
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -201.611635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.611635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.611635 (E_RNA)
where:
Base-Base interactions energy: -74.488
where: short stacking energy: -64.045
Base-Backbone interact. energy: -0.716
local terms energy: -126.407406
where:
bonds (distance) C4'-P energy: -32.910
bonds (distance) P-C4' energy: -39.264
flat angles C4'-P-C4' energy: -30.608
flat angles P-C4'-P energy: -23.663
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: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -190.519572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.519572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.519572 (E_RNA)
where:
Base-Base interactions energy: -59.736
where: short stacking energy: -57.576
Base-Backbone interact. energy: -0.601
local terms energy: -130.182089
where:
bonds (distance) C4'-P energy: -33.257
bonds (distance) P-C4' energy: -34.983
flat angles C4'-P-C4' energy: -33.907
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -662.670716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.670716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.670716 (E_RNA)
where:
Base-Base interactions energy: -445.165
where: short stacking energy: -202.645
Base-Backbone interact. energy: 0.233
local terms energy: -217.738553
where:
bonds (distance) C4'-P energy: -34.244
bonds (distance) P-C4' energy: -46.446
flat angles C4'-P-C4' energy: -48.095
flat angles P-C4'-P energy: -34.081
tors. eta vs tors. theta energy: -54.873
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: 5
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -634.364537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.364537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.364537 (E_RNA)
where:
Base-Base interactions energy: -412.493
where: short stacking energy: -185.461
Base-Backbone interact. energy: -0.845
local terms energy: -221.027047
where:
bonds (distance) C4'-P energy: -40.572
bonds (distance) P-C4' energy: -47.052
flat angles C4'-P-C4' energy: -44.674
flat angles P-C4'-P energy: -33.771
tors. eta vs tors. theta energy: -54.958
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: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -573.824664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.824664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.824664 (E_RNA)
where:
Base-Base interactions energy: -374.521
where: short stacking energy: -181.417
Base-Backbone interact. energy: 1.393
local terms energy: -200.696478
where:
bonds (distance) C4'-P energy: -35.897
bonds (distance) P-C4' energy: -49.615
flat angles C4'-P-C4' energy: -43.242
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: -51.073
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: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -510.070313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.070313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.070313 (E_RNA)
where:
Base-Base interactions energy: -317.100
where: short stacking energy: -158.882
Base-Backbone interact. energy: 1.711
local terms energy: -194.681345
where:
bonds (distance) C4'-P energy: -31.726
bonds (distance) P-C4' energy: -43.465
flat angles C4'-P-C4' energy: -44.632
flat angles P-C4'-P energy: -36.187
tors. eta vs tors. theta energy: -38.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -489.311588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.311588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.311588 (E_RNA)
where:
Base-Base interactions energy: -313.838
where: short stacking energy: -123.261
Base-Backbone interact. energy: -0.053
local terms energy: -175.420507
where:
bonds (distance) C4'-P energy: -34.588
bonds (distance) P-C4' energy: -39.711
flat angles C4'-P-C4' energy: -42.373
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -37.914
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: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -440.155657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.155657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.155657 (E_RNA)
where:
Base-Base interactions energy: -263.958
where: short stacking energy: -147.514
Base-Backbone interact. energy: -0.530
local terms energy: -175.667805
where:
bonds (distance) C4'-P energy: -27.797
bonds (distance) P-C4' energy: -42.786
flat angles C4'-P-C4' energy: -38.286
flat angles P-C4'-P energy: -27.578
tors. eta vs tors. theta energy: -39.220
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: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -298.013421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.013421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.013421 (E_RNA)
where:
Base-Base interactions energy: -144.023
where: short stacking energy: -82.276
Base-Backbone interact. energy: -3.315
local terms energy: -150.675308
where:
bonds (distance) C4'-P energy: -33.970
bonds (distance) P-C4' energy: -42.829
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -25.045
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -220.814693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.814693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.814693 (E_RNA)
where:
Base-Base interactions energy: -81.442
where: short stacking energy: -72.650
Base-Backbone interact. energy: 0.062
local terms energy: -139.434312
where:
bonds (distance) C4'-P energy: -42.699
bonds (distance) P-C4' energy: -35.648
flat angles C4'-P-C4' energy: -41.272
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: -5.060
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: 2
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -185.803262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.803262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.803262 (E_RNA)
where:
Base-Base interactions energy: -62.507
where: short stacking energy: -60.582
Base-Backbone interact. energy: 1.214
local terms energy: -124.510253
where:
bonds (distance) C4'-P energy: -38.952
bonds (distance) P-C4' energy: -38.372
flat angles C4'-P-C4' energy: -29.245
flat angles P-C4'-P energy: -16.424
tors. eta vs tors. theta energy: -1.517
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: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -190.007597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.007597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.007597 (E_RNA)
where:
Base-Base interactions energy: -62.091
where: short stacking energy: -56.222
Base-Backbone interact. energy: 1.192
local terms energy: -129.108975
where:
bonds (distance) C4'-P energy: -35.011
bonds (distance) P-C4' energy: -42.829
flat angles C4'-P-C4' energy: -33.312
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -0.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -669.094428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.094428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.094428 (E_RNA)
where:
Base-Base interactions energy: -439.584
where: short stacking energy: -196.968
Base-Backbone interact. energy: -0.501
local terms energy: -229.010249
where:
bonds (distance) C4'-P energy: -46.901
bonds (distance) P-C4' energy: -46.268
flat angles C4'-P-C4' energy: -48.086
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: -58.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -633.158734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.158734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.158734 (E_RNA)
where:
Base-Base interactions energy: -423.332
where: short stacking energy: -183.172
Base-Backbone interact. energy: 0.412
local terms energy: -210.238715
where:
bonds (distance) C4'-P energy: -44.329
bonds (distance) P-C4' energy: -38.534
flat angles C4'-P-C4' energy: -45.564
flat angles P-C4'-P energy: -30.031
tors. eta vs tors. theta energy: -51.781
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: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -585.720486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.720486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.720486 (E_RNA)
where:
Base-Base interactions energy: -370.857
where: short stacking energy: -187.007
Base-Backbone interact. energy: -0.574
local terms energy: -214.290283
where:
bonds (distance) C4'-P energy: -43.594
bonds (distance) P-C4' energy: -43.691
flat angles C4'-P-C4' energy: -40.983
flat angles P-C4'-P energy: -26.207
tors. eta vs tors. theta energy: -59.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -526.299828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.299828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.299828 (E_RNA)
where:
Base-Base interactions energy: -339.036
where: short stacking energy: -146.553
Base-Backbone interact. energy: -0.146
local terms energy: -187.117112
where:
bonds (distance) C4'-P energy: -38.844
bonds (distance) P-C4' energy: -45.037
flat angles C4'-P-C4' energy: -42.947
flat angles P-C4'-P energy: -17.899
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: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -523.292527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.292527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.292527 (E_RNA)
where:
Base-Base interactions energy: -326.763
where: short stacking energy: -155.054
Base-Backbone interact. energy: -0.239
local terms energy: -196.290748
where:
bonds (distance) C4'-P energy: -47.054
bonds (distance) P-C4' energy: -37.624
flat angles C4'-P-C4' energy: -42.911
flat angles P-C4'-P energy: -27.549
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: 6, replica: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -467.418583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.418583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.418583 (E_RNA)
where:
Base-Base interactions energy: -314.037
where: short stacking energy: -152.087
Base-Backbone interact. energy: -0.735
local terms energy: -152.646038
where:
bonds (distance) C4'-P energy: -33.154
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -40.954
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -36.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -320.995358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.995358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.995358 (E_RNA)
where:
Base-Base interactions energy: -173.708
where: short stacking energy: -91.108
Base-Backbone interact. energy: -0.495
local terms energy: -146.792594
where:
bonds (distance) C4'-P energy: -44.374
bonds (distance) P-C4' energy: -44.020
flat angles C4'-P-C4' energy: -33.384
flat angles P-C4'-P energy: -16.214
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: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -224.428812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.428812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.428812 (E_RNA)
where:
Base-Base interactions energy: -75.378
where: short stacking energy: -60.023
Base-Backbone interact. energy: 0.664
local terms energy: -149.715205
where:
bonds (distance) C4'-P energy: -41.148
bonds (distance) P-C4' energy: -40.924
flat angles C4'-P-C4' energy: -35.889
flat angles P-C4'-P energy: -25.492
tors. eta vs tors. theta energy: -6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -205.344333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.344333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.344333 (E_RNA)
where:
Base-Base interactions energy: -77.945
where: short stacking energy: -61.682
Base-Backbone interact. energy: -1.470
local terms energy: -125.928533
where:
bonds (distance) C4'-P energy: -36.541
bonds (distance) P-C4' energy: -37.220
flat angles C4'-P-C4' energy: -38.184
flat angles P-C4'-P energy: -19.809
tors. eta vs tors. theta energy: 5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -184.334425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.334425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.334425 (E_RNA)
where:
Base-Base interactions energy: -71.123
where: short stacking energy: -45.143
Base-Backbone interact. energy: 4.549
local terms energy: -117.760203
where:
bonds (distance) C4'-P energy: -39.186
bonds (distance) P-C4' energy: -40.977
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: 5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -629.279323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.279323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.279323 (E_RNA)
where:
Base-Base interactions energy: -402.193
where: short stacking energy: -192.525
Base-Backbone interact. energy: -2.539
local terms energy: -224.547404
where:
bonds (distance) C4'-P energy: -41.514
bonds (distance) P-C4' energy: -44.456
flat angles C4'-P-C4' energy: -41.554
flat angles P-C4'-P energy: -34.736
tors. eta vs tors. theta energy: -62.287
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: 344
Temperature: 0.950000
Total energy: -663.925276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.925276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.925276 (E_RNA)
where:
Base-Base interactions energy: -445.247
where: short stacking energy: -214.693
Base-Backbone interact. energy: -0.509
local terms energy: -218.168853
where:
bonds (distance) C4'-P energy: -41.443
bonds (distance) P-C4' energy: -45.116
flat angles C4'-P-C4' energy: -49.609
flat angles P-C4'-P energy: -25.971
tors. eta vs tors. theta energy: -56.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -581.611516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.611516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.611516 (E_RNA)
where:
Base-Base interactions energy: -376.024
where: short stacking energy: -181.560
Base-Backbone interact. energy: -0.107
local terms energy: -205.480886
where:
bonds (distance) C4'-P energy: -37.215
bonds (distance) P-C4' energy: -35.600
flat angles C4'-P-C4' energy: -45.297
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -53.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -538.131911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.131911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.131911 (E_RNA)
where:
Base-Base interactions energy: -353.683
where: short stacking energy: -150.575
Base-Backbone interact. energy: -0.268
local terms energy: -184.180683
where:
bonds (distance) C4'-P energy: -42.597
bonds (distance) P-C4' energy: -34.055
flat angles C4'-P-C4' energy: -40.097
flat angles P-C4'-P energy: -27.399
tors. eta vs tors. theta energy: -40.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -542.480665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.480665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.480665 (E_RNA)
where:
Base-Base interactions energy: -353.949
where: short stacking energy: -157.213
Base-Backbone interact. energy: -0.067
local terms energy: -188.463780
where:
bonds (distance) C4'-P energy: -34.174
bonds (distance) P-C4' energy: -42.213
flat angles C4'-P-C4' energy: -41.790
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: -41.204
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: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -448.237655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.237655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.237655 (E_RNA)
where:
Base-Base interactions energy: -286.544
where: short stacking energy: -153.174
Base-Backbone interact. energy: -0.596
local terms energy: -161.097028
where:
bonds (distance) C4'-P energy: -24.413
bonds (distance) P-C4' energy: -37.021
flat angles C4'-P-C4' energy: -35.249
flat angles P-C4'-P energy: -29.146
tors. eta vs tors. theta energy: -35.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -319.048348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.048348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.048348 (E_RNA)
where:
Base-Base interactions energy: -165.178
where: short stacking energy: -92.406
Base-Backbone interact. energy: -0.645
local terms energy: -153.225852
where:
bonds (distance) C4'-P energy: -37.233
bonds (distance) P-C4' energy: -40.148
flat angles C4'-P-C4' energy: -30.661
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -210.818025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.818025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.818025 (E_RNA)
where:
Base-Base interactions energy: -78.914
where: short stacking energy: -74.118
Base-Backbone interact. energy: 0.968
local terms energy: -132.871937
where:
bonds (distance) C4'-P energy: -32.055
bonds (distance) P-C4' energy: -41.636
flat angles C4'-P-C4' energy: -28.849
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -180.974213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.974213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.974213 (E_RNA)
where:
Base-Base interactions energy: -50.042
where: short stacking energy: -48.637
Base-Backbone interact. energy: -0.287
local terms energy: -130.645733
where:
bonds (distance) C4'-P energy: -34.017
bonds (distance) P-C4' energy: -43.589
flat angles C4'-P-C4' energy: -39.477
flat angles P-C4'-P energy: -13.241
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: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -185.230808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.230808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.230808 (E_RNA)
where:
Base-Base interactions energy: -64.365
where: short stacking energy: -55.601
Base-Backbone interact. energy: 1.455
local terms energy: -122.320819
where:
bonds (distance) C4'-P energy: -36.898
bonds (distance) P-C4' energy: -36.396
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: 1.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -639.594442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.594442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.594442 (E_RNA)
where:
Base-Base interactions energy: -419.418
where: short stacking energy: -199.069
Base-Backbone interact. energy: -0.194
local terms energy: -219.982562
where:
bonds (distance) C4'-P energy: -37.368
bonds (distance) P-C4' energy: -44.717
flat angles C4'-P-C4' energy: -50.595
flat angles P-C4'-P energy: -30.892
tors. eta vs tors. theta energy: -56.410
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: 345
Temperature: 0.950000
Total energy: -639.666823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.666823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.666823 (E_RNA)
where:
Base-Base interactions energy: -435.620
where: short stacking energy: -186.252
Base-Backbone interact. energy: -0.621
local terms energy: -203.425458
where:
bonds (distance) C4'-P energy: -34.699
bonds (distance) P-C4' energy: -38.027
flat angles C4'-P-C4' energy: -47.409
flat angles P-C4'-P energy: -26.936
tors. eta vs tors. theta energy: -56.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -602.043446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.043446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.043446 (E_RNA)
where:
Base-Base interactions energy: -397.974
where: short stacking energy: -205.638
Base-Backbone interact. energy: -0.561
local terms energy: -203.508059
where:
bonds (distance) C4'-P energy: -35.285
bonds (distance) P-C4' energy: -41.422
flat angles C4'-P-C4' energy: -40.862
flat angles P-C4'-P energy: -32.887
tors. eta vs tors. theta energy: -53.052
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: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -561.775504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.775504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.775504 (E_RNA)
where:
Base-Base interactions energy: -361.777
where: short stacking energy: -166.498
Base-Backbone interact. energy: -0.657
local terms energy: -199.341060
where:
bonds (distance) C4'-P energy: -35.567
bonds (distance) P-C4' energy: -43.000
flat angles C4'-P-C4' energy: -44.637
flat angles P-C4'-P energy: -24.713
tors. eta vs tors. theta energy: -51.423
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: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -505.812433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.812433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.812433 (E_RNA)
where:
Base-Base interactions energy: -306.410
where: short stacking energy: -148.312
Base-Backbone interact. energy: 1.263
local terms energy: -200.664938
where:
bonds (distance) C4'-P energy: -34.371
bonds (distance) P-C4' energy: -38.907
flat angles C4'-P-C4' energy: -50.459
flat angles P-C4'-P energy: -30.691
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: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -440.191078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.191078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.191078 (E_RNA)
where:
Base-Base interactions energy: -247.581
where: short stacking energy: -127.663
Base-Backbone interact. energy: -0.394
local terms energy: -192.216047
where:
bonds (distance) C4'-P energy: -38.958
bonds (distance) P-C4' energy: -41.022
flat angles C4'-P-C4' energy: -45.919
flat angles P-C4'-P energy: -29.711
tors. eta vs tors. theta energy: -36.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -301.774058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.774058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.774058 (E_RNA)
where:
Base-Base interactions energy: -162.044
where: short stacking energy: -87.095
Base-Backbone interact. energy: 0.138
local terms energy: -139.867745
where:
bonds (distance) C4'-P energy: -31.597
bonds (distance) P-C4' energy: -35.952
flat angles C4'-P-C4' energy: -40.902
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -204.398183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.398183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.398183 (E_RNA)
where:
Base-Base interactions energy: -69.889
where: short stacking energy: -59.654
Base-Backbone interact. energy: 1.454
local terms energy: -135.962817
where:
bonds (distance) C4'-P energy: -36.940
bonds (distance) P-C4' energy: -38.104
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -23.851
tors. eta vs tors. theta energy: -1.488
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: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -205.871919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.871919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.871919 (E_RNA)
where:
Base-Base interactions energy: -77.464
where: short stacking energy: -68.638
Base-Backbone interact. energy: -0.804
local terms energy: -127.604126
where:
bonds (distance) C4'-P energy: -35.023
bonds (distance) P-C4' energy: -39.451
flat angles C4'-P-C4' energy: -32.585
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -187.268500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.268500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.268500 (E_RNA)
where:
Base-Base interactions energy: -68.434
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.053
local terms energy: -118.782063
where:
bonds (distance) C4'-P energy: -31.841
bonds (distance) P-C4' energy: -32.515
flat angles C4'-P-C4' energy: -40.758
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: 4.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -622.650159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.650159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.650159 (E_RNA)
where:
Base-Base interactions energy: -404.304
where: short stacking energy: -198.194
Base-Backbone interact. energy: -0.858
local terms energy: -217.488233
where:
bonds (distance) C4'-P energy: -42.562
bonds (distance) P-C4' energy: -43.070
flat angles C4'-P-C4' energy: -47.970
flat angles P-C4'-P energy: -28.606
tors. eta vs tors. theta energy: -55.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -658.847828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.847828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.847828 (E_RNA)
where:
Base-Base interactions energy: -431.916
where: short stacking energy: -191.223
Base-Backbone interact. energy: -0.646
local terms energy: -226.285348
where:
bonds (distance) C4'-P energy: -45.330
bonds (distance) P-C4' energy: -48.015
flat angles C4'-P-C4' energy: -45.081
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -58.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -587.526688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.526688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.526688 (E_RNA)
where:
Base-Base interactions energy: -373.689
where: short stacking energy: -166.466
Base-Backbone interact. energy: -0.213
local terms energy: -213.625138
where:
bonds (distance) C4'-P energy: -39.739
bonds (distance) P-C4' energy: -49.383
flat angles C4'-P-C4' energy: -36.453
flat angles P-C4'-P energy: -32.614
tors. eta vs tors. theta energy: -55.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -592.954502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.954502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.954502 (E_RNA)
where:
Base-Base interactions energy: -381.815
where: short stacking energy: -174.043
Base-Backbone interact. energy: -0.406
local terms energy: -210.734130
where:
bonds (distance) C4'-P energy: -40.559
bonds (distance) P-C4' energy: -45.632
flat angles C4'-P-C4' energy: -46.723
flat angles P-C4'-P energy: -30.060
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: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -434.628795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.628795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.628795 (E_RNA)
where:
Base-Base interactions energy: -252.638
where: short stacking energy: -122.192
Base-Backbone interact. energy: -0.428
local terms energy: -181.562397
where:
bonds (distance) C4'-P energy: -40.246
bonds (distance) P-C4' energy: -45.037
flat angles C4'-P-C4' energy: -37.690
flat angles P-C4'-P energy: -31.433
tors. eta vs tors. theta energy: -27.157
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: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -437.493726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.493726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.493726 (E_RNA)
where:
Base-Base interactions energy: -272.320
where: short stacking energy: -124.605
Base-Backbone interact. energy: -2.486
local terms energy: -162.688058
where:
bonds (distance) C4'-P energy: -30.923
bonds (distance) P-C4' energy: -38.176
flat angles C4'-P-C4' energy: -37.198
flat angles P-C4'-P energy: -27.697
tors. eta vs tors. theta energy: -28.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -311.522995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.522995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.522995 (E_RNA)
where:
Base-Base interactions energy: -172.655
where: short stacking energy: -110.023
Base-Backbone interact. energy: -0.605
local terms energy: -138.263097
where:
bonds (distance) C4'-P energy: -38.366
bonds (distance) P-C4' energy: -30.861
flat angles C4'-P-C4' energy: -33.845
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -217.819822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.819822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.819822 (E_RNA)
where:
Base-Base interactions energy: -89.021
where: short stacking energy: -65.959
Base-Backbone interact. energy: 4.465
local terms energy: -133.263406
where:
bonds (distance) C4'-P energy: -30.673
bonds (distance) P-C4' energy: -42.528
flat angles C4'-P-C4' energy: -36.222
flat angles P-C4'-P energy: -19.729
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -200.574045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.574045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.574045 (E_RNA)
where:
Base-Base interactions energy: -61.189
where: short stacking energy: -57.407
Base-Backbone interact. energy: -1.869
local terms energy: -137.515230
where:
bonds (distance) C4'-P energy: -36.727
bonds (distance) P-C4' energy: -39.735
flat angles C4'-P-C4' energy: -36.666
flat angles P-C4'-P energy: -22.738
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -251.947780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.947780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.947780 (E_RNA)
where:
Base-Base interactions energy: -108.671
where: short stacking energy: -61.842
Base-Backbone interact. energy: -0.812
local terms energy: -142.464512
where:
bonds (distance) C4'-P energy: -43.757
bonds (distance) P-C4' energy: -40.977
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -20.001
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: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -624.790769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.790769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.790769 (E_RNA)
where:
Base-Base interactions energy: -402.421
where: short stacking energy: -191.506
Base-Backbone interact. energy: -0.190
local terms energy: -222.179342
where:
bonds (distance) C4'-P energy: -40.882
bonds (distance) P-C4' energy: -41.618
flat angles C4'-P-C4' energy: -48.008
flat angles P-C4'-P energy: -38.231
tors. eta vs tors. theta energy: -53.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -646.048630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.048630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.048630 (E_RNA)
where:
Base-Base interactions energy: -427.563
where: short stacking energy: -185.706
Base-Backbone interact. energy: -0.508
local terms energy: -217.977678
where:
bonds (distance) C4'-P energy: -44.695
bonds (distance) P-C4' energy: -35.311
flat angles C4'-P-C4' energy: -47.925
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -53.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -610.192367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.192367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.192367 (E_RNA)
where:
Base-Base interactions energy: -397.983
where: short stacking energy: -186.990
Base-Backbone interact. energy: -0.379
local terms energy: -211.829860
where:
bonds (distance) C4'-P energy: -38.396
bonds (distance) P-C4' energy: -38.952
flat angles C4'-P-C4' energy: -43.167
flat angles P-C4'-P energy: -32.992
tors. eta vs tors. theta energy: -58.323
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: 347
Temperature: 1.050000
Total energy: -583.873622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.873622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.873622 (E_RNA)
where:
Base-Base interactions energy: -379.834
where: short stacking energy: -178.160
Base-Backbone interact. energy: -0.978
local terms energy: -203.061236
where:
bonds (distance) C4'-P energy: -37.761
bonds (distance) P-C4' energy: -37.585
flat angles C4'-P-C4' energy: -49.374
flat angles P-C4'-P energy: -29.086
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: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -429.305647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.305647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.305647 (E_RNA)
where:
Base-Base interactions energy: -258.426
where: short stacking energy: -138.627
Base-Backbone interact. energy: -0.843
local terms energy: -170.036652
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -43.532
flat angles C4'-P-C4' energy: -44.776
flat angles P-C4'-P energy: -21.940
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: 6, replica: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -472.984933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.984933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.984933 (E_RNA)
where:
Base-Base interactions energy: -288.361
where: short stacking energy: -133.918
Base-Backbone interact. energy: -1.100
local terms energy: -183.524154
where:
bonds (distance) C4'-P energy: -44.371
bonds (distance) P-C4' energy: -41.884
flat angles C4'-P-C4' energy: -40.692
flat angles P-C4'-P energy: -24.742
tors. eta vs tors. theta energy: -31.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -318.322579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.322579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.322579 (E_RNA)
where:
Base-Base interactions energy: -169.132
where: short stacking energy: -96.339
Base-Backbone interact. energy: -1.293
local terms energy: -147.896991
where:
bonds (distance) C4'-P energy: -37.964
bonds (distance) P-C4' energy: -42.986
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -232.855429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.855429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.855429 (E_RNA)
where:
Base-Base interactions energy: -105.876
where: short stacking energy: -78.659
Base-Backbone interact. energy: 0.263
local terms energy: -127.242823
where:
bonds (distance) C4'-P energy: -38.057
bonds (distance) P-C4' energy: -32.904
flat angles C4'-P-C4' energy: -28.228
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -3.825
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: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -193.563201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.563201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.563201 (E_RNA)
where:
Base-Base interactions energy: -66.387
where: short stacking energy: -61.232
Base-Backbone interact. energy: -0.535
local terms energy: -126.641512
where:
bonds (distance) C4'-P energy: -32.829
bonds (distance) P-C4' energy: -36.339
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -25.663
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -243.224492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.224492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.224492 (E_RNA)
where:
Base-Base interactions energy: -122.349
where: short stacking energy: -78.776
Base-Backbone interact. energy: -1.496
local terms energy: -119.380112
where:
bonds (distance) C4'-P energy: -31.491
bonds (distance) P-C4' energy: -32.430
flat angles C4'-P-C4' energy: -33.705
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -661.043066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.043066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.043066 (E_RNA)
where:
Base-Base interactions energy: -439.099
where: short stacking energy: -196.349
Base-Backbone interact. energy: -1.411
local terms energy: -220.532441
where:
bonds (distance) C4'-P energy: -36.655
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -50.398
flat angles P-C4'-P energy: -31.793
tors. eta vs tors. theta energy: -52.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -601.640535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.640535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.640535 (E_RNA)
where:
Base-Base interactions energy: -392.638
where: short stacking energy: -197.976
Base-Backbone interact. energy: -1.103
local terms energy: -207.898947
where:
bonds (distance) C4'-P energy: -27.652
bonds (distance) P-C4' energy: -38.726
flat angles C4'-P-C4' energy: -50.696
flat angles P-C4'-P energy: -37.089
tors. eta vs tors. theta energy: -53.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -602.264135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.264135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.264135 (E_RNA)
where:
Base-Base interactions energy: -387.043
where: short stacking energy: -174.689
Base-Backbone interact. energy: -1.126
local terms energy: -214.095094
where:
bonds (distance) C4'-P energy: -41.804
bonds (distance) P-C4' energy: -43.876
flat angles C4'-P-C4' energy: -36.918
flat angles P-C4'-P energy: -35.024
tors. eta vs tors. theta energy: -56.473
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: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -567.910614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.910614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.910614 (E_RNA)
where:
Base-Base interactions energy: -375.983
where: short stacking energy: -175.407
Base-Backbone interact. energy: -0.355
local terms energy: -191.572855
where:
bonds (distance) C4'-P energy: -33.614
bonds (distance) P-C4' energy: -34.836
flat angles C4'-P-C4' energy: -37.882
flat angles P-C4'-P energy: -34.470
tors. eta vs tors. theta energy: -50.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -472.629133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.629133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.629133 (E_RNA)
where:
Base-Base interactions energy: -288.369
where: short stacking energy: -145.220
Base-Backbone interact. energy: 0.101
local terms energy: -184.360643
where:
bonds (distance) C4'-P energy: -31.659
bonds (distance) P-C4' energy: -40.418
flat angles C4'-P-C4' energy: -44.721
flat angles P-C4'-P energy: -24.976
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: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -427.288213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.288213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.288213 (E_RNA)
where:
Base-Base interactions energy: -244.431
where: short stacking energy: -127.372
Base-Backbone interact. energy: 0.524
local terms energy: -183.381331
where:
bonds (distance) C4'-P energy: -42.520
bonds (distance) P-C4' energy: -39.551
flat angles C4'-P-C4' energy: -43.722
flat angles P-C4'-P energy: -29.741
tors. eta vs tors. theta energy: -27.847
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: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -294.771979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.771979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.771979 (E_RNA)
where:
Base-Base interactions energy: -138.092
where: short stacking energy: -86.303
Base-Backbone interact. energy: -0.910
local terms energy: -155.770200
where:
bonds (distance) C4'-P energy: -39.943
bonds (distance) P-C4' energy: -33.085
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -26.489
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -241.276540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.276540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.276540 (E_RNA)
where:
Base-Base interactions energy: -128.518
where: short stacking energy: -77.411
Base-Backbone interact. energy: 1.161
local terms energy: -113.920014
where:
bonds (distance) C4'-P energy: -31.010
bonds (distance) P-C4' energy: -35.432
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -193.886452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.886452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.886452 (E_RNA)
where:
Base-Base interactions energy: -63.281
where: short stacking energy: -55.887
Base-Backbone interact. energy: -0.461
local terms energy: -130.144043
where:
bonds (distance) C4'-P energy: -37.966
bonds (distance) P-C4' energy: -43.064
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -20.559
tors. eta vs tors. theta energy: 1.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -199.663597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.663597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.663597 (E_RNA)
where:
Base-Base interactions energy: -82.640
where: short stacking energy: -65.717
Base-Backbone interact. energy: 1.527
local terms energy: -118.551506
where:
bonds (distance) C4'-P energy: -34.537
bonds (distance) P-C4' energy: -31.132
flat angles C4'-P-C4' energy: -32.609
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -663.159248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.159248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.159248 (E_RNA)
where:
Base-Base interactions energy: -445.037
where: short stacking energy: -203.805
Base-Backbone interact. energy: 5.611
local terms energy: -223.733366
where:
bonds (distance) C4'-P energy: -44.928
bonds (distance) P-C4' energy: -39.087
flat angles C4'-P-C4' energy: -49.118
flat angles P-C4'-P energy: -29.882
tors. eta vs tors. theta energy: -60.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -630.676899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.676899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.676899 (E_RNA)
where:
Base-Base interactions energy: -409.922
where: short stacking energy: -208.025
Base-Backbone interact. energy: -1.040
local terms energy: -219.715264
where:
bonds (distance) C4'-P energy: -39.220
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -48.527
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -61.828
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: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -619.345691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.345691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.345691 (E_RNA)
where:
Base-Base interactions energy: -406.150
where: short stacking energy: -202.754
Base-Backbone interact. energy: -0.093
local terms energy: -213.102595
where:
bonds (distance) C4'-P energy: -40.248
bonds (distance) P-C4' energy: -42.065
flat angles C4'-P-C4' energy: -41.131
flat angles P-C4'-P energy: -29.927
tors. eta vs tors. theta energy: -59.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -585.822631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.822631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.822631 (E_RNA)
where:
Base-Base interactions energy: -379.652
where: short stacking energy: -179.002
Base-Backbone interact. energy: 0.926
local terms energy: -207.097136
where:
bonds (distance) C4'-P energy: -39.151
bonds (distance) P-C4' energy: -38.363
flat angles C4'-P-C4' energy: -41.480
flat angles P-C4'-P energy: -35.175
tors. eta vs tors. theta energy: -52.929
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: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -465.314786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.314786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.314786 (E_RNA)
where:
Base-Base interactions energy: -280.401
where: short stacking energy: -145.353
Base-Backbone interact. energy: -1.904
local terms energy: -183.009205
where:
bonds (distance) C4'-P energy: -45.226
bonds (distance) P-C4' energy: -37.888
flat angles C4'-P-C4' energy: -43.319
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -33.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -401.683765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.683765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.683765 (E_RNA)
where:
Base-Base interactions energy: -244.971
where: short stacking energy: -120.390
Base-Backbone interact. energy: -0.803
local terms energy: -155.909663
where:
bonds (distance) C4'-P energy: -32.346
bonds (distance) P-C4' energy: -39.234
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -319.057817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.057817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.057817 (E_RNA)
where:
Base-Base interactions energy: -162.239
where: short stacking energy: -100.619
Base-Backbone interact. energy: -0.816
local terms energy: -156.002752
where:
bonds (distance) C4'-P energy: -43.947
bonds (distance) P-C4' energy: -38.561
flat angles C4'-P-C4' energy: -37.339
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -216.653492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.653492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.653492 (E_RNA)
where:
Base-Base interactions energy: -77.464
where: short stacking energy: -68.775
Base-Backbone interact. energy: -0.519
local terms energy: -138.669948
where:
bonds (distance) C4'-P energy: -34.004
bonds (distance) P-C4' energy: -34.598
flat angles C4'-P-C4' energy: -32.092
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -190.006020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.006020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.006020 (E_RNA)
where:
Base-Base interactions energy: -71.650
where: short stacking energy: -64.132
Base-Backbone interact. energy: -0.025
local terms energy: -118.331742
where:
bonds (distance) C4'-P energy: -41.803
bonds (distance) P-C4' energy: -37.095
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -19.058
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: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -173.517448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.517448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.517448 (E_RNA)
where:
Base-Base interactions energy: -55.054
where: short stacking energy: -39.356
Base-Backbone interact. energy: -0.092
local terms energy: -118.371342
where:
bonds (distance) C4'-P energy: -37.336
bonds (distance) P-C4' energy: -27.487
flat angles C4'-P-C4' energy: -36.536
flat angles P-C4'-P energy: -26.442
tors. eta vs tors. theta energy: 9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -665.330989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.330989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.330989 (E_RNA)
where:
Base-Base interactions energy: -435.049
where: short stacking energy: -199.814
Base-Backbone interact. energy: -0.603
local terms energy: -229.679309
where:
bonds (distance) C4'-P energy: -44.984
bonds (distance) P-C4' energy: -46.815
flat angles C4'-P-C4' energy: -49.836
flat angles P-C4'-P energy: -26.259
tors. eta vs tors. theta energy: -61.786
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: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -631.380327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.380327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.380327 (E_RNA)
where:
Base-Base interactions energy: -398.673
where: short stacking energy: -208.676
Base-Backbone interact. energy: -0.459
local terms energy: -232.248625
where:
bonds (distance) C4'-P energy: -40.918
bonds (distance) P-C4' energy: -45.037
flat angles C4'-P-C4' energy: -49.729
flat angles P-C4'-P energy: -32.864
tors. eta vs tors. theta energy: -63.701
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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -605.416045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.416045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.416045 (E_RNA)
where:
Base-Base interactions energy: -392.046
where: short stacking energy: -187.553
Base-Backbone interact. energy: -1.750
local terms energy: -211.620107
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -40.740
flat angles C4'-P-C4' energy: -43.924
flat angles P-C4'-P energy: -35.300
tors. eta vs tors. theta energy: -54.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -564.413066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.413066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.413066 (E_RNA)
where:
Base-Base interactions energy: -371.688
where: short stacking energy: -162.926
Base-Backbone interact. energy: -0.488
local terms energy: -192.237511
where:
bonds (distance) C4'-P energy: -38.254
bonds (distance) P-C4' energy: -44.182
flat angles C4'-P-C4' energy: -43.239
flat angles P-C4'-P energy: -18.256
tors. eta vs tors. theta energy: -48.306
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: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -420.555427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.555427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.555427 (E_RNA)
where:
Base-Base interactions energy: -247.903
where: short stacking energy: -133.429
Base-Backbone interact. energy: -0.584
local terms energy: -172.068655
where:
bonds (distance) C4'-P energy: -38.339
bonds (distance) P-C4' energy: -37.794
flat angles C4'-P-C4' energy: -41.117
flat angles P-C4'-P energy: -24.345
tors. eta vs tors. theta energy: -30.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -408.014793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.014793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.014793 (E_RNA)
where:
Base-Base interactions energy: -251.758
where: short stacking energy: -123.883
Base-Backbone interact. energy: -0.322
local terms energy: -155.934626
where:
bonds (distance) C4'-P energy: -31.514
bonds (distance) P-C4' energy: -41.591
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -18.327
tors. eta vs tors. theta energy: -24.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -309.072176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.072176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.072176 (E_RNA)
where:
Base-Base interactions energy: -170.237
where: short stacking energy: -88.044
Base-Backbone interact. energy: 0.267
local terms energy: -139.101732
where:
bonds (distance) C4'-P energy: -33.096
bonds (distance) P-C4' energy: -34.303
flat angles C4'-P-C4' energy: -33.264
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -224.093802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.093802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.093802 (E_RNA)
where:
Base-Base interactions energy: -83.808
where: short stacking energy: -74.672
Base-Backbone interact. energy: -0.767
local terms energy: -139.518803
where:
bonds (distance) C4'-P energy: -36.396
bonds (distance) P-C4' energy: -37.313
flat angles C4'-P-C4' energy: -41.362
flat angles P-C4'-P energy: -25.865
tors. eta vs tors. theta energy: 1.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -200.137472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.137472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.137472 (E_RNA)
where:
Base-Base interactions energy: -73.377
where: short stacking energy: -71.486
Base-Backbone interact. energy: 0.806
local terms energy: -127.565986
where:
bonds (distance) C4'-P energy: -39.462
bonds (distance) P-C4' energy: -42.605
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -192.224989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.224989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.224989 (E_RNA)
where:
Base-Base interactions energy: -63.434
where: short stacking energy: -56.759
Base-Backbone interact. energy: -0.896
local terms energy: -127.894596
where:
bonds (distance) C4'-P energy: -43.938
bonds (distance) P-C4' energy: -38.627
flat angles C4'-P-C4' energy: -22.668
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: 2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -670.008766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.008766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.008766 (E_RNA)
where:
Base-Base interactions energy: -444.038
where: short stacking energy: -200.085
Base-Backbone interact. energy: 0.420
local terms energy: -226.390619
where:
bonds (distance) C4'-P energy: -46.746
bonds (distance) P-C4' energy: -39.895
flat angles C4'-P-C4' energy: -53.402
flat angles P-C4'-P energy: -29.512
tors. eta vs tors. theta energy: -56.836
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: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -602.359131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.359131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.359131 (E_RNA)
where:
Base-Base interactions energy: -397.787
where: short stacking energy: -191.955
Base-Backbone interact. energy: 0.285
local terms energy: -204.857133
where:
bonds (distance) C4'-P energy: -34.559
bonds (distance) P-C4' energy: -40.843
flat angles C4'-P-C4' energy: -42.704
flat angles P-C4'-P energy: -35.034
tors. eta vs tors. theta energy: -51.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -596.855410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.855410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.855410 (E_RNA)
where:
Base-Base interactions energy: -393.094
where: short stacking energy: -176.135
Base-Backbone interact. energy: -0.679
local terms energy: -203.082517
where:
bonds (distance) C4'-P energy: -41.569
bonds (distance) P-C4' energy: -39.239
flat angles C4'-P-C4' energy: -41.137
flat angles P-C4'-P energy: -30.057
tors. eta vs tors. theta energy: -51.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -550.133059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.133059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.133059 (E_RNA)
where:
Base-Base interactions energy: -362.384
where: short stacking energy: -155.517
Base-Backbone interact. energy: 0.044
local terms energy: -187.793082
where:
bonds (distance) C4'-P energy: -35.905
bonds (distance) P-C4' energy: -38.106
flat angles C4'-P-C4' energy: -41.474
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -41.113
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: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -434.047823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.047823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.047823 (E_RNA)
where:
Base-Base interactions energy: -254.752
where: short stacking energy: -126.356
Base-Backbone interact. energy: 0.504
local terms energy: -179.799233
where:
bonds (distance) C4'-P energy: -37.100
bonds (distance) P-C4' energy: -42.897
flat angles C4'-P-C4' energy: -44.137
flat angles P-C4'-P energy: -26.848
tors. eta vs tors. theta energy: -28.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -422.950850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.950850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.950850 (E_RNA)
where:
Base-Base interactions energy: -267.452
where: short stacking energy: -125.617
Base-Backbone interact. energy: -1.243
local terms energy: -154.256018
where:
bonds (distance) C4'-P energy: -36.246
bonds (distance) P-C4' energy: -42.661
flat angles C4'-P-C4' energy: -28.570
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: -21.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -310.139302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.139302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.139302 (E_RNA)
where:
Base-Base interactions energy: -154.750
where: short stacking energy: -85.764
Base-Backbone interact. energy: -1.294
local terms energy: -154.094999
where:
bonds (distance) C4'-P energy: -37.175
bonds (distance) P-C4' energy: -36.831
flat angles C4'-P-C4' energy: -45.842
flat angles P-C4'-P energy: -22.341
tors. eta vs tors. theta energy: -11.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -223.989998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.989998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.989998 (E_RNA)
where:
Base-Base interactions energy: -86.809
where: short stacking energy: -63.025
Base-Backbone interact. energy: -1.420
local terms energy: -135.761272
where:
bonds (distance) C4'-P energy: -41.071
bonds (distance) P-C4' energy: -42.785
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -22.215
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -184.385552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.385552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.385552 (E_RNA)
where:
Base-Base interactions energy: -53.655
where: short stacking energy: -52.038
Base-Backbone interact. energy: -1.488
local terms energy: -129.242970
where:
bonds (distance) C4'-P energy: -44.254
bonds (distance) P-C4' energy: -38.173
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -191.752925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.752925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.752925 (E_RNA)
where:
Base-Base interactions energy: -68.654
where: short stacking energy: -58.699
Base-Backbone interact. energy: -0.860
local terms energy: -122.239045
where:
bonds (distance) C4'-P energy: -36.880
bonds (distance) P-C4' energy: -37.453
flat angles C4'-P-C4' energy: -31.404
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: 1.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -669.566426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.566426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.566426 (E_RNA)
where:
Base-Base interactions energy: -451.289
where: short stacking energy: -205.811
Base-Backbone interact. energy: -0.533
local terms energy: -217.744431
where:
bonds (distance) C4'-P energy: -45.707
bonds (distance) P-C4' energy: -41.393
flat angles C4'-P-C4' energy: -53.551
flat angles P-C4'-P energy: -20.572
tors. eta vs tors. theta energy: -56.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -632.355623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.355623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.355623 (E_RNA)
where:
Base-Base interactions energy: -411.902
where: short stacking energy: -196.127
Base-Backbone interact. energy: -0.535
local terms energy: -219.919329
where:
bonds (distance) C4'-P energy: -36.467
bonds (distance) P-C4' energy: -44.471
flat angles C4'-P-C4' energy: -46.876
flat angles P-C4'-P energy: -29.755
tors. eta vs tors. theta energy: -62.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -595.403104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.403104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.403104 (E_RNA)
where:
Base-Base interactions energy: -398.659
where: short stacking energy: -167.770
Base-Backbone interact. energy: 0.988
local terms energy: -197.732044
where:
bonds (distance) C4'-P energy: -39.309
bonds (distance) P-C4' energy: -43.381
flat angles C4'-P-C4' energy: -50.347
flat angles P-C4'-P energy: -31.267
tors. eta vs tors. theta energy: -33.428
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: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -582.504100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.504100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.504100 (E_RNA)
where:
Base-Base interactions energy: -374.149
where: short stacking energy: -192.123
Base-Backbone interact. energy: 1.510
local terms energy: -209.864624
where:
bonds (distance) C4'-P energy: -45.776
bonds (distance) P-C4' energy: -41.276
flat angles C4'-P-C4' energy: -45.342
flat angles P-C4'-P energy: -28.418
tors. eta vs tors. theta energy: -49.052
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: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -428.080768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.080768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.080768 (E_RNA)
where:
Base-Base interactions energy: -256.894
where: short stacking energy: -140.556
Base-Backbone interact. energy: -0.320
local terms energy: -170.867428
where:
bonds (distance) C4'-P energy: -35.764
bonds (distance) P-C4' energy: -37.804
flat angles C4'-P-C4' energy: -34.565
flat angles P-C4'-P energy: -30.055
tors. eta vs tors. theta energy: -32.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -444.259543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.259543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.259543 (E_RNA)
where:
Base-Base interactions energy: -256.261
where: short stacking energy: -134.616
Base-Backbone interact. energy: 2.579
local terms energy: -190.577504
where:
bonds (distance) C4'-P energy: -35.942
bonds (distance) P-C4' energy: -38.765
flat angles C4'-P-C4' energy: -47.642
flat angles P-C4'-P energy: -25.462
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: 7, replica: 1
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -305.948155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.948155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.948155 (E_RNA)
where:
Base-Base interactions energy: -148.701
where: short stacking energy: -91.508
Base-Backbone interact. energy: -0.844
local terms energy: -156.402936
where:
bonds (distance) C4'-P energy: -38.818
bonds (distance) P-C4' energy: -43.457
flat angles C4'-P-C4' energy: -42.428
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -11.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -213.604060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.604060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.604060 (E_RNA)
where:
Base-Base interactions energy: -87.868
where: short stacking energy: -79.079
Base-Backbone interact. energy: -0.981
local terms energy: -124.755444
where:
bonds (distance) C4'-P energy: -31.594
bonds (distance) P-C4' energy: -41.309
flat angles C4'-P-C4' energy: -34.254
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -13.144
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: 2
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -188.027908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.027908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.027908 (E_RNA)
where:
Base-Base interactions energy: -55.455
where: short stacking energy: -55.245
Base-Backbone interact. energy: 1.009
local terms energy: -133.581561
where:
bonds (distance) C4'-P energy: -31.378
bonds (distance) P-C4' energy: -40.473
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -30.448
tors. eta vs tors. theta energy: -1.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -168.762558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.762558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.762558 (E_RNA)
where:
Base-Base interactions energy: -59.929
where: short stacking energy: -56.950
Base-Backbone interact. energy: 2.643
local terms energy: -111.477096
where:
bonds (distance) C4'-P energy: -37.597
bonds (distance) P-C4' energy: -34.884
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: 7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -656.240167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.240167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.240167 (E_RNA)
where:
Base-Base interactions energy: -434.917
where: short stacking energy: -197.741
Base-Backbone interact. energy: -0.301
local terms energy: -221.022176
where:
bonds (distance) C4'-P energy: -43.180
bonds (distance) P-C4' energy: -51.648
flat angles C4'-P-C4' energy: -46.690
flat angles P-C4'-P energy: -28.054
tors. eta vs tors. theta energy: -51.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -642.848232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.848232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.848232 (E_RNA)
where:
Base-Base interactions energy: -407.673
where: short stacking energy: -213.997
Base-Backbone interact. energy: 0.224
local terms energy: -235.398698
where:
bonds (distance) C4'-P energy: -46.055
bonds (distance) P-C4' energy: -45.255
flat angles C4'-P-C4' energy: -47.924
flat angles P-C4'-P energy: -36.365
tors. eta vs tors. theta energy: -59.798
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: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -590.974333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.974333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.974333 (E_RNA)
where:
Base-Base interactions energy: -381.222
where: short stacking energy: -160.554
Base-Backbone interact. energy: -0.472
local terms energy: -209.280252
where:
bonds (distance) C4'-P energy: -43.633
bonds (distance) P-C4' energy: -47.703
flat angles C4'-P-C4' energy: -45.212
flat angles P-C4'-P energy: -28.912
tors. eta vs tors. theta energy: -43.821
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: 353
Temperature: 1.050000
Total energy: -544.388642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.388642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.388642 (E_RNA)
where:
Base-Base interactions energy: -338.943
where: short stacking energy: -155.539
Base-Backbone interact. energy: -1.275
local terms energy: -204.171173
where:
bonds (distance) C4'-P energy: -41.116
bonds (distance) P-C4' energy: -45.325
flat angles C4'-P-C4' energy: -44.323
flat angles P-C4'-P energy: -32.928
tors. eta vs tors. theta energy: -40.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -428.252713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.252713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.252713 (E_RNA)
where:
Base-Base interactions energy: -252.366
where: short stacking energy: -131.908
Base-Backbone interact. energy: 0.709
local terms energy: -176.595952
where:
bonds (distance) C4'-P energy: -38.287
bonds (distance) P-C4' energy: -50.317
flat angles C4'-P-C4' energy: -38.087
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -404.973288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.973288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.973288 (E_RNA)
where:
Base-Base interactions energy: -242.744
where: short stacking energy: -108.779
Base-Backbone interact. energy: -1.307
local terms energy: -160.921959
where:
bonds (distance) C4'-P energy: -42.098
bonds (distance) P-C4' energy: -41.700
flat angles C4'-P-C4' energy: -38.012
flat angles P-C4'-P energy: -16.676
tors. eta vs tors. theta energy: -22.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -384.182797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.182797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.182797 (E_RNA)
where:
Base-Base interactions energy: -226.461
where: short stacking energy: -120.731
Base-Backbone interact. energy: -0.884
local terms energy: -156.837768
where:
bonds (distance) C4'-P energy: -36.192
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -40.599
flat angles P-C4'-P energy: -23.092
tors. eta vs tors. theta energy: -23.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -217.285375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.285375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.285375 (E_RNA)
where:
Base-Base interactions energy: -74.425
where: short stacking energy: -58.944
Base-Backbone interact. energy: 0.838
local terms energy: -143.698406
where:
bonds (distance) C4'-P energy: -42.719
bonds (distance) P-C4' energy: -40.214
flat angles C4'-P-C4' energy: -36.215
flat angles P-C4'-P energy: -22.729
tors. eta vs tors. theta energy: -1.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -198.744438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.744438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.744438 (E_RNA)
where:
Base-Base interactions energy: -75.730
where: short stacking energy: -70.719
Base-Backbone interact. energy: 1.122
local terms energy: -124.136531
where:
bonds (distance) C4'-P energy: -36.756
bonds (distance) P-C4' energy: -42.396
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: 7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -186.986579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.986579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.986579 (E_RNA)
where:
Base-Base interactions energy: -75.046
where: short stacking energy: -58.964
Base-Backbone interact. energy: -0.279
local terms energy: -111.661976
where:
bonds (distance) C4'-P energy: -34.597
bonds (distance) P-C4' energy: -29.948
flat angles C4'-P-C4' energy: -30.812
flat angles P-C4'-P energy: -9.962
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: 354
Temperature: 0.900000
Total energy: -650.740991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.740991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.740991 (E_RNA)
where:
Base-Base interactions energy: -429.486
where: short stacking energy: -182.103
Base-Backbone interact. energy: -0.892
local terms energy: -220.362459
where:
bonds (distance) C4'-P energy: -39.155
bonds (distance) P-C4' energy: -47.599
flat angles C4'-P-C4' energy: -47.157
flat angles P-C4'-P energy: -36.350
tors. eta vs tors. theta energy: -50.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -627.478300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.478300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.478300 (E_RNA)
where:
Base-Base interactions energy: -402.353
where: short stacking energy: -193.734
Base-Backbone interact. energy: -0.731
local terms energy: -224.394278
where:
bonds (distance) C4'-P energy: -40.748
bonds (distance) P-C4' energy: -48.026
flat angles C4'-P-C4' energy: -49.130
flat angles P-C4'-P energy: -23.319
tors. eta vs tors. theta energy: -63.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -583.523487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.523487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.523487 (E_RNA)
where:
Base-Base interactions energy: -376.011
where: short stacking energy: -180.653
Base-Backbone interact. energy: 0.007
local terms energy: -207.520147
where:
bonds (distance) C4'-P energy: -43.579
bonds (distance) P-C4' energy: -41.540
flat angles C4'-P-C4' energy: -43.233
flat angles P-C4'-P energy: -29.447
tors. eta vs tors. theta energy: -49.722
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: 4, replica: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -540.520078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.520078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.520078 (E_RNA)
where:
Base-Base interactions energy: -330.480
where: short stacking energy: -160.616
Base-Backbone interact. energy: -0.274
local terms energy: -209.766020
where:
bonds (distance) C4'-P energy: -43.702
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -40.786
flat angles P-C4'-P energy: -29.639
tors. eta vs tors. theta energy: -49.706
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: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -443.384256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.384256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.384256 (E_RNA)
where:
Base-Base interactions energy: -258.323
where: short stacking energy: -130.786
Base-Backbone interact. energy: -0.968
local terms energy: -184.093550
where:
bonds (distance) C4'-P energy: -46.655
bonds (distance) P-C4' energy: -36.352
flat angles C4'-P-C4' energy: -39.950
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -31.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -409.965797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.965797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.965797 (E_RNA)
where:
Base-Base interactions energy: -247.760
where: short stacking energy: -131.577
Base-Backbone interact. energy: -0.312
local terms energy: -161.894009
where:
bonds (distance) C4'-P energy: -39.977
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -34.619
flat angles P-C4'-P energy: -25.326
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -323.457711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.457711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.457711 (E_RNA)
where:
Base-Base interactions energy: -173.677
where: short stacking energy: -88.222
Base-Backbone interact. energy: -1.161
local terms energy: -148.619482
where:
bonds (distance) C4'-P energy: -30.918
bonds (distance) P-C4' energy: -38.986
flat angles C4'-P-C4' energy: -38.591
flat angles P-C4'-P energy: -35.053
tors. eta vs tors. theta energy: -5.071
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: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -219.244214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.244214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.244214 (E_RNA)
where:
Base-Base interactions energy: -84.048
where: short stacking energy: -64.239
Base-Backbone interact. energy: 0.830
local terms energy: -136.026138
where:
bonds (distance) C4'-P energy: -40.060
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -27.893
flat angles P-C4'-P energy: -30.977
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -257.600612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.600612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.600612 (E_RNA)
where:
Base-Base interactions energy: -134.127
where: short stacking energy: -78.811
Base-Backbone interact. energy: -1.179
local terms energy: -122.294210
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -37.958
flat angles C4'-P-C4' energy: -31.856
flat angles P-C4'-P energy: -18.760
tors. eta vs tors. theta energy: -7.487
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: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -203.074008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.074008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.074008 (E_RNA)
where:
Base-Base interactions energy: -81.803
where: short stacking energy: -59.927
Base-Backbone interact. energy: 1.478
local terms energy: -122.749459
where:
bonds (distance) C4'-P energy: -42.756
bonds (distance) P-C4' energy: -41.330
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -18.106
tors. eta vs tors. theta energy: -4.129
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: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -669.024765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.024765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.024765 (E_RNA)
where:
Base-Base interactions energy: -447.221
where: short stacking energy: -214.850
Base-Backbone interact. energy: -0.377
local terms energy: -221.426830
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -44.944
flat angles C4'-P-C4' energy: -45.429
flat angles P-C4'-P energy: -27.156
tors. eta vs tors. theta energy: -57.080
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: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -628.496147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.496147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.496147 (E_RNA)
where:
Base-Base interactions energy: -403.192
where: short stacking energy: -196.113
Base-Backbone interact. energy: -0.036
local terms energy: -225.267610
where:
bonds (distance) C4'-P energy: -40.501
bonds (distance) P-C4' energy: -41.787
flat angles C4'-P-C4' energy: -46.728
flat angles P-C4'-P energy: -36.288
tors. eta vs tors. theta energy: -59.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -597.111596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.111596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.111596 (E_RNA)
where:
Base-Base interactions energy: -390.796
where: short stacking energy: -175.579
Base-Backbone interact. energy: 1.008
local terms energy: -207.324182
where:
bonds (distance) C4'-P energy: -43.166
bonds (distance) P-C4' energy: -39.260
flat angles C4'-P-C4' energy: -46.584
flat angles P-C4'-P energy: -28.295
tors. eta vs tors. theta energy: -50.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -540.709392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.709392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.709392 (E_RNA)
where:
Base-Base interactions energy: -340.445
where: short stacking energy: -148.862
Base-Backbone interact. energy: -1.785
local terms energy: -198.480107
where:
bonds (distance) C4'-P energy: -36.706
bonds (distance) P-C4' energy: -46.106
flat angles C4'-P-C4' energy: -43.751
flat angles P-C4'-P energy: -27.572
tors. eta vs tors. theta energy: -44.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -463.887816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.887816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.887816 (E_RNA)
where:
Base-Base interactions energy: -265.431
where: short stacking energy: -141.088
Base-Backbone interact. energy: 0.185
local terms energy: -198.641827
where:
bonds (distance) C4'-P energy: -33.442
bonds (distance) P-C4' energy: -48.233
flat angles C4'-P-C4' energy: -44.453
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -38.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -399.857793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.857793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.857793 (E_RNA)
where:
Base-Base interactions energy: -242.933
where: short stacking energy: -113.227
Base-Backbone interact. energy: -0.764
local terms energy: -156.160281
where:
bonds (distance) C4'-P energy: -35.171
bonds (distance) P-C4' energy: -40.054
flat angles C4'-P-C4' energy: -34.349
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -23.384
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: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -305.202684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.202684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.202684 (E_RNA)
where:
Base-Base interactions energy: -150.709
where: short stacking energy: -102.755
Base-Backbone interact. energy: -0.290
local terms energy: -154.203751
where:
bonds (distance) C4'-P energy: -36.752
bonds (distance) P-C4' energy: -32.863
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -24.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -263.565561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.565561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.565561 (E_RNA)
where:
Base-Base interactions energy: -126.994
where: short stacking energy: -82.575
Base-Backbone interact. energy: -0.664
local terms energy: -135.906958
where:
bonds (distance) C4'-P energy: -37.609
bonds (distance) P-C4' energy: -39.591
flat angles C4'-P-C4' energy: -42.680
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -6.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -201.622849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.622849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.622849 (E_RNA)
where:
Base-Base interactions energy: -83.479
where: short stacking energy: -54.742
Base-Backbone interact. energy: 0.092
local terms energy: -118.236290
where:
bonds (distance) C4'-P energy: -30.462
bonds (distance) P-C4' energy: -40.835
flat angles C4'-P-C4' energy: -32.162
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: 4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -191.265720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.265720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.265720 (E_RNA)
where:
Base-Base interactions energy: -68.115
where: short stacking energy: -57.662
Base-Backbone interact. energy: 3.129
local terms energy: -126.280327
where:
bonds (distance) C4'-P energy: -37.045
bonds (distance) P-C4' energy: -36.458
flat angles C4'-P-C4' energy: -25.171
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -4.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -652.198758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.198758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.198758 (E_RNA)
where:
Base-Base interactions energy: -429.024
where: short stacking energy: -199.886
Base-Backbone interact. energy: -0.489
local terms energy: -222.686431
where:
bonds (distance) C4'-P energy: -39.062
bonds (distance) P-C4' energy: -43.854
flat angles C4'-P-C4' energy: -49.698
flat angles P-C4'-P energy: -34.717
tors. eta vs tors. theta energy: -55.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -617.287044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.287044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.287044 (E_RNA)
where:
Base-Base interactions energy: -398.980
where: short stacking energy: -180.929
Base-Backbone interact. energy: -1.009
local terms energy: -217.298039
where:
bonds (distance) C4'-P energy: -43.665
bonds (distance) P-C4' energy: -41.062
flat angles C4'-P-C4' energy: -47.267
flat angles P-C4'-P energy: -28.687
tors. eta vs tors. theta energy: -56.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -572.741380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.741380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.741380 (E_RNA)
where:
Base-Base interactions energy: -386.549
where: short stacking energy: -152.565
Base-Backbone interact. energy: -0.466
local terms energy: -185.727121
where:
bonds (distance) C4'-P energy: -34.143
bonds (distance) P-C4' energy: -39.446
flat angles C4'-P-C4' energy: -39.484
flat angles P-C4'-P energy: -32.210
tors. eta vs tors. theta energy: -40.444
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: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -572.377297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.377297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.377297 (E_RNA)
where:
Base-Base interactions energy: -371.911
where: short stacking energy: -179.788
Base-Backbone interact. energy: -1.229
local terms energy: -199.237615
where:
bonds (distance) C4'-P energy: -39.112
bonds (distance) P-C4' energy: -38.346
flat angles C4'-P-C4' energy: -43.025
flat angles P-C4'-P energy: -31.148
tors. eta vs tors. theta energy: -47.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -455.242737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.242737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.242737 (E_RNA)
where:
Base-Base interactions energy: -289.329
where: short stacking energy: -143.600
Base-Backbone interact. energy: -0.441
local terms energy: -165.472808
where:
bonds (distance) C4'-P energy: -42.905
bonds (distance) P-C4' energy: -28.745
flat angles C4'-P-C4' energy: -47.483
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: -27.755
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: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -432.755838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.755838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.755838 (E_RNA)
where:
Base-Base interactions energy: -261.983
where: short stacking energy: -121.376
Base-Backbone interact. energy: -0.927
local terms energy: -169.845407
where:
bonds (distance) C4'-P energy: -33.732
bonds (distance) P-C4' energy: -49.878
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -27.863
tors. eta vs tors. theta energy: -29.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -318.145085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.145085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.145085 (E_RNA)
where:
Base-Base interactions energy: -174.196
where: short stacking energy: -116.520
Base-Backbone interact. energy: -0.340
local terms energy: -143.609387
where:
bonds (distance) C4'-P energy: -34.913
bonds (distance) P-C4' energy: -32.032
flat angles C4'-P-C4' energy: -35.768
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: -22.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -265.443892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.443892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.443892 (E_RNA)
where:
Base-Base interactions energy: -144.154
where: short stacking energy: -72.435
Base-Backbone interact. energy: 0.635
local terms energy: -121.924310
where:
bonds (distance) C4'-P energy: -35.824
bonds (distance) P-C4' energy: -38.870
flat angles C4'-P-C4' energy: -29.018
flat angles P-C4'-P energy: -18.210
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: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -197.134854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.134854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.134854 (E_RNA)
where:
Base-Base interactions energy: -51.217
where: short stacking energy: -50.164
Base-Backbone interact. energy: -0.490
local terms energy: -145.428300
where:
bonds (distance) C4'-P energy: -41.435
bonds (distance) P-C4' energy: -45.198
flat angles C4'-P-C4' energy: -34.980
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: 1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -193.371847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.371847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.371847 (E_RNA)
where:
Base-Base interactions energy: -76.014
where: short stacking energy: -46.571
Base-Backbone interact. energy: -1.207
local terms energy: -116.150622
where:
bonds (distance) C4'-P energy: -37.114
bonds (distance) P-C4' energy: -31.689
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: 1.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -668.962457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.962457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.962457 (E_RNA)
where:
Base-Base interactions energy: -442.456
where: short stacking energy: -202.905
Base-Backbone interact. energy: -0.526
local terms energy: -225.980504
where:
bonds (distance) C4'-P energy: -43.899
bonds (distance) P-C4' energy: -44.174
flat angles C4'-P-C4' energy: -47.019
flat angles P-C4'-P energy: -31.995
tors. eta vs tors. theta energy: -58.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -634.120823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.120823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.120823 (E_RNA)
where:
Base-Base interactions energy: -417.982
where: short stacking energy: -190.089
Base-Backbone interact. energy: -0.027
local terms energy: -216.112068
where:
bonds (distance) C4'-P energy: -44.746
bonds (distance) P-C4' energy: -39.329
flat angles C4'-P-C4' energy: -48.537
flat angles P-C4'-P energy: -31.549
tors. eta vs tors. theta energy: -51.951
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: 7
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -593.138628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.138628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.138628 (E_RNA)
where:
Base-Base interactions energy: -375.213
where: short stacking energy: -174.318
Base-Backbone interact. energy: -0.250
local terms energy: -217.675191
where:
bonds (distance) C4'-P energy: -37.519
bonds (distance) P-C4' energy: -45.107
flat angles C4'-P-C4' energy: -45.990
flat angles P-C4'-P energy: -33.768
tors. eta vs tors. theta energy: -55.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -559.752124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.752124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.752124 (E_RNA)
where:
Base-Base interactions energy: -372.740
where: short stacking energy: -173.662
Base-Backbone interact. energy: -1.262
local terms energy: -185.750216
where:
bonds (distance) C4'-P energy: -41.106
bonds (distance) P-C4' energy: -40.645
flat angles C4'-P-C4' energy: -35.715
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -48.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -434.290905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.290905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.290905 (E_RNA)
where:
Base-Base interactions energy: -262.814
where: short stacking energy: -118.394
Base-Backbone interact. energy: 0.873
local terms energy: -172.349102
where:
bonds (distance) C4'-P energy: -34.806
bonds (distance) P-C4' energy: -35.154
flat angles C4'-P-C4' energy: -44.527
flat angles P-C4'-P energy: -27.891
tors. eta vs tors. theta energy: -29.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -427.769851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.769851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.769851 (E_RNA)
where:
Base-Base interactions energy: -266.602
where: short stacking energy: -118.302
Base-Backbone interact. energy: -0.925
local terms energy: -160.242671
where:
bonds (distance) C4'-P energy: -36.363
bonds (distance) P-C4' energy: -44.149
flat angles C4'-P-C4' energy: -30.478
flat angles P-C4'-P energy: -19.292
tors. eta vs tors. theta energy: -29.961
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: 7, replica: 1
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -307.517586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.517586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.517586 (E_RNA)
where:
Base-Base interactions energy: -173.351
where: short stacking energy: -90.261
Base-Backbone interact. energy: 1.424
local terms energy: -135.590897
where:
bonds (distance) C4'-P energy: -39.309
bonds (distance) P-C4' energy: -41.934
flat angles C4'-P-C4' energy: -32.255
flat angles P-C4'-P energy: -16.188
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: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -290.611482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.611482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.611482 (E_RNA)
where:
Base-Base interactions energy: -136.288
where: short stacking energy: -89.568
Base-Backbone interact. energy: -0.229
local terms energy: -154.094870
where:
bonds (distance) C4'-P energy: -33.807
bonds (distance) P-C4' energy: -43.263
flat angles C4'-P-C4' energy: -38.020
flat angles P-C4'-P energy: -23.140
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -214.380431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.380431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.380431 (E_RNA)
where:
Base-Base interactions energy: -59.672
where: short stacking energy: -58.519
Base-Backbone interact. energy: -0.734
local terms energy: -153.974374
where:
bonds (distance) C4'-P energy: -46.332
bonds (distance) P-C4' energy: -45.240
flat angles C4'-P-C4' energy: -33.817
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -9.425
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: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -176.401881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.401881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.401881 (E_RNA)
where:
Base-Base interactions energy: -71.075
where: short stacking energy: -61.644
Base-Backbone interact. energy: -0.963
local terms energy: -104.364137
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -26.977
flat angles C4'-P-C4' energy: -34.500
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -663.435318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.435318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.435318 (E_RNA)
where:
Base-Base interactions energy: -446.700
where: short stacking energy: -197.900
Base-Backbone interact. energy: -0.690
local terms energy: -216.044909
where:
bonds (distance) C4'-P energy: -43.187
bonds (distance) P-C4' energy: -47.154
flat angles C4'-P-C4' energy: -45.601
flat angles P-C4'-P energy: -31.439
tors. eta vs tors. theta energy: -48.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -628.318972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.318972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.318972 (E_RNA)
where:
Base-Base interactions energy: -406.076
where: short stacking energy: -174.447
Base-Backbone interact. energy: -0.221
local terms energy: -222.022179
where:
bonds (distance) C4'-P energy: -47.788
bonds (distance) P-C4' energy: -44.646
flat angles C4'-P-C4' energy: -46.084
flat angles P-C4'-P energy: -27.809
tors. eta vs tors. theta energy: -55.695
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: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -603.453240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.453240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.453240 (E_RNA)
where:
Base-Base interactions energy: -392.660
where: short stacking energy: -174.502
Base-Backbone interact. energy: -0.444
local terms energy: -210.349125
where:
bonds (distance) C4'-P energy: -44.112
bonds (distance) P-C4' energy: -39.361
flat angles C4'-P-C4' energy: -44.537
flat angles P-C4'-P energy: -29.494
tors. eta vs tors. theta energy: -52.845
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: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -581.592761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.592761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.592761 (E_RNA)
where:
Base-Base interactions energy: -377.139
where: short stacking energy: -180.167
Base-Backbone interact. energy: -0.224
local terms energy: -204.229215
where:
bonds (distance) C4'-P energy: -34.595
bonds (distance) P-C4' energy: -29.310
flat angles C4'-P-C4' energy: -46.351
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: -59.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -467.624657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.624657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.624657 (E_RNA)
where:
Base-Base interactions energy: -280.797
where: short stacking energy: -156.421
Base-Backbone interact. energy: 0.952
local terms energy: -187.779617
where:
bonds (distance) C4'-P energy: -35.706
bonds (distance) P-C4' energy: -43.490
flat angles C4'-P-C4' energy: -44.416
flat angles P-C4'-P energy: -28.531
tors. eta vs tors. theta energy: -35.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -426.488628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.488628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.488628 (E_RNA)
where:
Base-Base interactions energy: -256.576
where: short stacking energy: -133.606
Base-Backbone interact. energy: -0.470
local terms energy: -169.442991
where:
bonds (distance) C4'-P energy: -35.251
bonds (distance) P-C4' energy: -39.848
flat angles C4'-P-C4' energy: -36.046
flat angles P-C4'-P energy: -24.016
tors. eta vs tors. theta energy: -34.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -297.769484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.769484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.769484 (E_RNA)
where:
Base-Base interactions energy: -149.454
where: short stacking energy: -81.155
Base-Backbone interact. energy: -1.610
local terms energy: -146.705540
where:
bonds (distance) C4'-P energy: -37.171
bonds (distance) P-C4' energy: -39.190
flat angles C4'-P-C4' energy: -39.846
flat angles P-C4'-P energy: -16.624
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -300.506997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.506997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.506997 (E_RNA)
where:
Base-Base interactions energy: -162.170
where: short stacking energy: -81.360
Base-Backbone interact. energy: 3.657
local terms energy: -141.993760
where:
bonds (distance) C4'-P energy: -40.367
bonds (distance) P-C4' energy: -38.975
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -20.049
tors. eta vs tors. theta energy: -11.420
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: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -208.936428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.936428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.936428 (E_RNA)
where:
Base-Base interactions energy: -69.218
where: short stacking energy: -61.893
Base-Backbone interact. energy: 0.174
local terms energy: -139.891792
where:
bonds (distance) C4'-P energy: -43.080
bonds (distance) P-C4' energy: -38.080
flat angles C4'-P-C4' energy: -39.885
flat angles P-C4'-P energy: -19.195
tors. eta vs tors. theta energy: 0.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -178.597306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.597306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.597306 (E_RNA)
where:
Base-Base interactions energy: -65.856
where: short stacking energy: -45.414
Base-Backbone interact. energy: -1.406
local terms energy: -111.335103
where:
bonds (distance) C4'-P energy: -27.658
bonds (distance) P-C4' energy: -34.783
flat angles C4'-P-C4' energy: -33.110
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: 3.487
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: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -652.786880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.786880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.786880 (E_RNA)
where:
Base-Base interactions energy: -439.651
where: short stacking energy: -193.739
Base-Backbone interact. energy: -0.222
local terms energy: -212.913899
where:
bonds (distance) C4'-P energy: -47.944
bonds (distance) P-C4' energy: -44.135
flat angles C4'-P-C4' energy: -43.165
flat angles P-C4'-P energy: -28.616
tors. eta vs tors. theta energy: -49.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -617.801251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.801251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.801251 (E_RNA)
where:
Base-Base interactions energy: -404.033
where: short stacking energy: -198.859
Base-Backbone interact. energy: -0.177
local terms energy: -213.591808
where:
bonds (distance) C4'-P energy: -37.654
bonds (distance) P-C4' energy: -42.528
flat angles C4'-P-C4' energy: -41.136
flat angles P-C4'-P energy: -37.247
tors. eta vs tors. theta energy: -55.027
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: 7
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -595.566043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.566043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.566043 (E_RNA)
where:
Base-Base interactions energy: -399.972
where: short stacking energy: -170.698
Base-Backbone interact. energy: 1.518
local terms energy: -197.111875
where:
bonds (distance) C4'-P energy: -38.589
bonds (distance) P-C4' energy: -41.756
flat angles C4'-P-C4' energy: -41.754
flat angles P-C4'-P energy: -28.091
tors. eta vs tors. theta energy: -46.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -594.235915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.235915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.235915 (E_RNA)
where:
Base-Base interactions energy: -377.612
where: short stacking energy: -190.729
Base-Backbone interact. energy: -0.387
local terms energy: -216.236661
where:
bonds (distance) C4'-P energy: -48.013
bonds (distance) P-C4' energy: -46.097
flat angles C4'-P-C4' energy: -39.700
flat angles P-C4'-P energy: -26.847
tors. eta vs tors. theta energy: -55.580
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: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -434.971354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.971354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.971354 (E_RNA)
where:
Base-Base interactions energy: -267.720
where: short stacking energy: -140.371
Base-Backbone interact. energy: -0.624
local terms energy: -166.627721
where:
bonds (distance) C4'-P energy: -32.980
bonds (distance) P-C4' energy: -42.244
flat angles C4'-P-C4' energy: -34.822
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -39.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -439.182857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.182857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.182857 (E_RNA)
where:
Base-Base interactions energy: -268.289
where: short stacking energy: -139.839
Base-Backbone interact. energy: -1.226
local terms energy: -169.667112
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -46.303
flat angles C4'-P-C4' energy: -36.339
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -32.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -324.959669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.959669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.959669 (E_RNA)
where:
Base-Base interactions energy: -164.896
where: short stacking energy: -96.573
Base-Backbone interact. energy: 0.295
local terms energy: -160.358524
where:
bonds (distance) C4'-P energy: -31.777
bonds (distance) P-C4' energy: -45.382
flat angles C4'-P-C4' energy: -38.994
flat angles P-C4'-P energy: -26.874
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -293.780940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.780940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.780940 (E_RNA)
where:
Base-Base interactions energy: -148.035
where: short stacking energy: -93.117
Base-Backbone interact. energy: 2.510
local terms energy: -148.255954
where:
bonds (distance) C4'-P energy: -33.741
bonds (distance) P-C4' energy: -41.801
flat angles C4'-P-C4' energy: -33.650
flat angles P-C4'-P energy: -23.692
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -203.880536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.880536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.880536 (E_RNA)
where:
Base-Base interactions energy: -75.138
where: short stacking energy: -64.654
Base-Backbone interact. energy: -0.586
local terms energy: -128.156607
where:
bonds (distance) C4'-P energy: -37.910
bonds (distance) P-C4' energy: -39.463
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -17.750
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: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -191.601772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.601772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.601772 (E_RNA)
where:
Base-Base interactions energy: -81.667
where: short stacking energy: -39.757
Base-Backbone interact. energy: -1.315
local terms energy: -108.619958
where:
bonds (distance) C4'-P energy: -37.979
bonds (distance) P-C4' energy: -34.159
flat angles C4'-P-C4' energy: -31.466
flat angles P-C4'-P energy: -18.210
tors. eta vs tors. theta energy: 13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -640.687506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.687506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.687506 (E_RNA)
where:
Base-Base interactions energy: -432.201
where: short stacking energy: -200.808
Base-Backbone interact. energy: 2.416
local terms energy: -210.902891
where:
bonds (distance) C4'-P energy: -32.492
bonds (distance) P-C4' energy: -49.158
flat angles C4'-P-C4' energy: -43.536
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: -52.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -644.676253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.676253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.676253 (E_RNA)
where:
Base-Base interactions energy: -427.239
where: short stacking energy: -186.061
Base-Backbone interact. energy: -0.340
local terms energy: -217.097336
where:
bonds (distance) C4'-P energy: -45.505
bonds (distance) P-C4' energy: -40.953
flat angles C4'-P-C4' energy: -45.761
flat angles P-C4'-P energy: -26.337
tors. eta vs tors. theta energy: -58.541
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: 7
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -608.342350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.342350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.342350 (E_RNA)
where:
Base-Base interactions energy: -389.602
where: short stacking energy: -184.768
Base-Backbone interact. energy: -0.815
local terms energy: -217.925340
where:
bonds (distance) C4'-P energy: -41.487
bonds (distance) P-C4' energy: -53.943
flat angles C4'-P-C4' energy: -38.012
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -54.619
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: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -568.277600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.277600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.277600 (E_RNA)
where:
Base-Base interactions energy: -373.454
where: short stacking energy: -169.776
Base-Backbone interact. energy: -0.317
local terms energy: -194.506223
where:
bonds (distance) C4'-P energy: -37.890
bonds (distance) P-C4' energy: -32.575
flat angles C4'-P-C4' energy: -46.533
flat angles P-C4'-P energy: -31.063
tors. eta vs tors. theta energy: -46.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -412.868133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.868133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.868133 (E_RNA)
where:
Base-Base interactions energy: -249.270
where: short stacking energy: -115.776
Base-Backbone interact. energy: -0.714
local terms energy: -162.883860
where:
bonds (distance) C4'-P energy: -31.630
bonds (distance) P-C4' energy: -42.208
flat angles C4'-P-C4' energy: -40.182
flat angles P-C4'-P energy: -23.959
tors. eta vs tors. theta energy: -24.904
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: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -398.755242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.755242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.755242 (E_RNA)
where:
Base-Base interactions energy: -224.680
where: short stacking energy: -115.404
Base-Backbone interact. energy: -0.462
local terms energy: -173.614012
where:
bonds (distance) C4'-P energy: -37.707
bonds (distance) P-C4' energy: -42.063
flat angles C4'-P-C4' energy: -40.014
flat angles P-C4'-P energy: -26.976
tors. eta vs tors. theta energy: -26.854
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: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -294.561640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.561640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.561640 (E_RNA)
where:
Base-Base interactions energy: -140.054
where: short stacking energy: -82.478
Base-Backbone interact. energy: -2.843
local terms energy: -151.664304
where:
bonds (distance) C4'-P energy: -31.802
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -38.670
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -7.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -294.257812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.257812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.257812 (E_RNA)
where:
Base-Base interactions energy: -134.397
where: short stacking energy: -74.231
Base-Backbone interact. energy: -0.513
local terms energy: -159.347950
where:
bonds (distance) C4'-P energy: -43.741
bonds (distance) P-C4' energy: -45.818
flat angles C4'-P-C4' energy: -42.554
flat angles P-C4'-P energy: -19.743
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -207.098449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.098449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.098449 (E_RNA)
where:
Base-Base interactions energy: -60.836
where: short stacking energy: -57.755
Base-Backbone interact. energy: -1.590
local terms energy: -144.672280
where:
bonds (distance) C4'-P energy: -40.597
bonds (distance) P-C4' energy: -43.402
flat angles C4'-P-C4' energy: -38.374
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -206.365626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.365626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.365626 (E_RNA)
where:
Base-Base interactions energy: -73.752
where: short stacking energy: -63.021
Base-Backbone interact. energy: -0.210
local terms energy: -132.403818
where:
bonds (distance) C4'-P energy: -35.858
bonds (distance) P-C4' energy: -39.866
flat angles C4'-P-C4' energy: -30.540
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -643.205179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.205179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.205179 (E_RNA)
where:
Base-Base interactions energy: -412.542
where: short stacking energy: -176.946
Base-Backbone interact. energy: -1.313
local terms energy: -229.350673
where:
bonds (distance) C4'-P energy: -45.993
bonds (distance) P-C4' energy: -47.788
flat angles C4'-P-C4' energy: -54.660
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: -51.827
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: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -642.229080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.229080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.229080 (E_RNA)
where:
Base-Base interactions energy: -423.434
where: short stacking energy: -195.859
Base-Backbone interact. energy: -0.632
local terms energy: -218.162868
where:
bonds (distance) C4'-P energy: -37.472
bonds (distance) P-C4' energy: -44.925
flat angles C4'-P-C4' energy: -43.800
flat angles P-C4'-P energy: -34.144
tors. eta vs tors. theta energy: -57.822
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: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -604.548104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.548104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.548104 (E_RNA)
where:
Base-Base interactions energy: -400.296
where: short stacking energy: -180.845
Base-Backbone interact. energy: 1.108
local terms energy: -205.360014
where:
bonds (distance) C4'-P energy: -38.740
bonds (distance) P-C4' energy: -41.693
flat angles C4'-P-C4' energy: -49.305
flat angles P-C4'-P energy: -29.068
tors. eta vs tors. theta energy: -46.553
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: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -599.312881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.312881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.312881 (E_RNA)
where:
Base-Base interactions energy: -387.044
where: short stacking energy: -184.173
Base-Backbone interact. energy: -0.732
local terms energy: -211.536721
where:
bonds (distance) C4'-P energy: -41.894
bonds (distance) P-C4' energy: -38.158
flat angles C4'-P-C4' energy: -47.143
flat angles P-C4'-P energy: -31.485
tors. eta vs tors. theta energy: -52.856
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: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -447.134012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.134012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.134012 (E_RNA)
where:
Base-Base interactions energy: -277.091
where: short stacking energy: -126.112
Base-Backbone interact. energy: -0.286
local terms energy: -169.757552
where:
bonds (distance) C4'-P energy: -45.552
bonds (distance) P-C4' energy: -30.894
flat angles C4'-P-C4' energy: -39.905
flat angles P-C4'-P energy: -28.223
tors. eta vs tors. theta energy: -25.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -399.129936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.129936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.129936 (E_RNA)
where:
Base-Base interactions energy: -217.395
where: short stacking energy: -103.653
Base-Backbone interact. energy: -1.011
local terms energy: -180.724227
where:
bonds (distance) C4'-P energy: -44.593
bonds (distance) P-C4' energy: -43.566
flat angles C4'-P-C4' energy: -35.363
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -33.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -313.172462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.172462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.172462 (E_RNA)
where:
Base-Base interactions energy: -151.936
where: short stacking energy: -91.019
Base-Backbone interact. energy: -0.869
local terms energy: -160.367048
where:
bonds (distance) C4'-P energy: -40.494
bonds (distance) P-C4' energy: -49.980
flat angles C4'-P-C4' energy: -35.696
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -12.337
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: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -301.509575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.509575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.509575 (E_RNA)
where:
Base-Base interactions energy: -140.346
where: short stacking energy: -87.409
Base-Backbone interact. energy: -1.187
local terms energy: -159.977238
where:
bonds (distance) C4'-P energy: -36.113
bonds (distance) P-C4' energy: -43.109
flat angles C4'-P-C4' energy: -38.108
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -200.500474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.500474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.500474 (E_RNA)
where:
Base-Base interactions energy: -69.734
where: short stacking energy: -65.073
Base-Backbone interact. energy: 3.964
local terms energy: -134.730905
where:
bonds (distance) C4'-P energy: -37.897
bonds (distance) P-C4' energy: -40.282
flat angles C4'-P-C4' energy: -43.571
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: 1.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -186.924778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.924778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.924778 (E_RNA)
where:
Base-Base interactions energy: -68.173
where: short stacking energy: -43.301
Base-Backbone interact. energy: 0.400
local terms energy: -119.151525
where:
bonds (distance) C4'-P energy: -34.549
bonds (distance) P-C4' energy: -32.733
flat angles C4'-P-C4' energy: -36.433
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -654.420452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.420452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.420452 (E_RNA)
where:
Base-Base interactions energy: -419.816
where: short stacking energy: -219.808
Base-Backbone interact. energy: 0.126
local terms energy: -234.729987
where:
bonds (distance) C4'-P energy: -43.602
bonds (distance) P-C4' energy: -40.441
flat angles C4'-P-C4' energy: -53.214
flat angles P-C4'-P energy: -33.795
tors. eta vs tors. theta energy: -63.678
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: 362
Temperature: 0.950000
Total energy: -638.306053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.306053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.306053 (E_RNA)
where:
Base-Base interactions energy: -424.250
where: short stacking energy: -173.919
Base-Backbone interact. energy: -1.111
local terms energy: -212.944587
where:
bonds (distance) C4'-P energy: -46.997
bonds (distance) P-C4' energy: -41.236
flat angles C4'-P-C4' energy: -45.745
flat angles P-C4'-P energy: -29.983
tors. eta vs tors. theta energy: -48.984
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: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -595.234950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.234950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.234950 (E_RNA)
where:
Base-Base interactions energy: -388.511
where: short stacking energy: -183.970
Base-Backbone interact. energy: -0.313
local terms energy: -206.410436
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -36.953
flat angles C4'-P-C4' energy: -45.353
flat angles P-C4'-P energy: -21.890
tors. eta vs tors. theta energy: -57.649
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: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -598.390789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.390789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.390789 (E_RNA)
where:
Base-Base interactions energy: -389.340
where: short stacking energy: -181.299
Base-Backbone interact. energy: -2.594
local terms energy: -206.455896
where:
bonds (distance) C4'-P energy: -36.041
bonds (distance) P-C4' energy: -43.781
flat angles C4'-P-C4' energy: -41.691
flat angles P-C4'-P energy: -29.060
tors. eta vs tors. theta energy: -55.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -425.198814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.198814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.198814 (E_RNA)
where:
Base-Base interactions energy: -239.301
where: short stacking energy: -114.445
Base-Backbone interact. energy: -0.773
local terms energy: -185.124934
where:
bonds (distance) C4'-P energy: -34.785
bonds (distance) P-C4' energy: -50.065
flat angles C4'-P-C4' energy: -43.256
flat angles P-C4'-P energy: -28.303
tors. eta vs tors. theta energy: -28.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -406.433773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.433773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.433773 (E_RNA)
where:
Base-Base interactions energy: -232.755
where: short stacking energy: -110.697
Base-Backbone interact. energy: -0.762
local terms energy: -172.916858
where:
bonds (distance) C4'-P energy: -38.667
bonds (distance) P-C4' energy: -47.045
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -21.925
tors. eta vs tors. theta energy: -23.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -323.399855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.399855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.399855 (E_RNA)
where:
Base-Base interactions energy: -173.037
where: short stacking energy: -93.702
Base-Backbone interact. energy: -0.412
local terms energy: -149.950989
where:
bonds (distance) C4'-P energy: -36.867
bonds (distance) P-C4' energy: -35.646
flat angles C4'-P-C4' energy: -34.704
flat angles P-C4'-P energy: -22.898
tors. eta vs tors. theta energy: -19.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -299.719913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.719913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.719913 (E_RNA)
where:
Base-Base interactions energy: -143.025
where: short stacking energy: -89.482
Base-Backbone interact. energy: -0.816
local terms energy: -155.879307
where:
bonds (distance) C4'-P energy: -28.706
bonds (distance) P-C4' energy: -45.170
flat angles C4'-P-C4' energy: -47.633
flat angles P-C4'-P energy: -20.554
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -183.053016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.053016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.053016 (E_RNA)
where:
Base-Base interactions energy: -64.637
where: short stacking energy: -51.129
Base-Backbone interact. energy: 0.858
local terms energy: -119.273954
where:
bonds (distance) C4'-P energy: -32.277
bonds (distance) P-C4' energy: -40.446
flat angles C4'-P-C4' energy: -28.193
flat angles P-C4'-P energy: -21.857
tors. eta vs tors. theta energy: 3.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -188.362703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.362703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.362703 (E_RNA)
where:
Base-Base interactions energy: -63.914
where: short stacking energy: -53.089
Base-Backbone interact. energy: -0.103
local terms energy: -124.345707
where:
bonds (distance) C4'-P energy: -36.253
bonds (distance) P-C4' energy: -34.369
flat angles C4'-P-C4' energy: -31.117
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -653.342464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.342464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.342464 (E_RNA)
where:
Base-Base interactions energy: -420.600
where: short stacking energy: -205.958
Base-Backbone interact. energy: 0.319
local terms energy: -233.062129
where:
bonds (distance) C4'-P energy: -40.287
bonds (distance) P-C4' energy: -47.033
flat angles C4'-P-C4' energy: -41.636
flat angles P-C4'-P energy: -38.637
tors. eta vs tors. theta energy: -65.469
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: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -610.256864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.256864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.256864 (E_RNA)
where:
Base-Base interactions energy: -396.779
where: short stacking energy: -182.109
Base-Backbone interact. energy: -1.102
local terms energy: -212.376095
where:
bonds (distance) C4'-P energy: -38.921
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -49.449
flat angles P-C4'-P energy: -30.409
tors. eta vs tors. theta energy: -54.240
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: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -603.052966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.052966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.052966 (E_RNA)
where:
Base-Base interactions energy: -420.527
where: short stacking energy: -184.135
Base-Backbone interact. energy: -0.718
local terms energy: -181.808194
where:
bonds (distance) C4'-P energy: -40.122
bonds (distance) P-C4' energy: -32.049
flat angles C4'-P-C4' energy: -40.233
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -45.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -600.358793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.358793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.358793 (E_RNA)
where:
Base-Base interactions energy: -401.957
where: short stacking energy: -199.534
Base-Backbone interact. energy: -0.380
local terms energy: -198.021156
where:
bonds (distance) C4'-P energy: -34.600
bonds (distance) P-C4' energy: -34.963
flat angles C4'-P-C4' energy: -39.100
flat angles P-C4'-P energy: -31.456
tors. eta vs tors. theta energy: -57.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -431.595163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.595163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.595163 (E_RNA)
where:
Base-Base interactions energy: -259.823
where: short stacking energy: -115.948
Base-Backbone interact. energy: -0.157
local terms energy: -171.615399
where:
bonds (distance) C4'-P energy: -41.440
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -40.775
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -32.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -401.720487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.720487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.720487 (E_RNA)
where:
Base-Base interactions energy: -244.827
where: short stacking energy: -129.595
Base-Backbone interact. energy: 0.486
local terms energy: -157.379808
where:
bonds (distance) C4'-P energy: -36.339
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -33.149
flat angles P-C4'-P energy: -24.215
tors. eta vs tors. theta energy: -26.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -308.318426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.318426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.318426 (E_RNA)
where:
Base-Base interactions energy: -156.673
where: short stacking energy: -102.333
Base-Backbone interact. energy: -0.828
local terms energy: -150.817418
where:
bonds (distance) C4'-P energy: -36.143
bonds (distance) P-C4' energy: -39.162
flat angles C4'-P-C4' energy: -33.524
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -278.178936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.178936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.178936 (E_RNA)
where:
Base-Base interactions energy: -130.598
where: short stacking energy: -73.356
Base-Backbone interact. energy: -0.749
local terms energy: -146.832512
where:
bonds (distance) C4'-P energy: -34.667
bonds (distance) P-C4' energy: -41.068
flat angles C4'-P-C4' energy: -38.687
flat angles P-C4'-P energy: -24.392
tors. eta vs tors. theta energy: -8.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -209.588167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.588167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.588167 (E_RNA)
where:
Base-Base interactions energy: -91.179
where: short stacking energy: -65.629
Base-Backbone interact. energy: -0.770
local terms energy: -117.639184
where:
bonds (distance) C4'-P energy: -34.051
bonds (distance) P-C4' energy: -33.971
flat angles C4'-P-C4' energy: -30.892
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -5.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -171.885431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.885431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.885431 (E_RNA)
where:
Base-Base interactions energy: -60.227
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.651
local terms energy: -111.007221
where:
bonds (distance) C4'-P energy: -34.363
bonds (distance) P-C4' energy: -33.505
flat angles C4'-P-C4' energy: -34.303
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: 3.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -636.777564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.777564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.777564 (E_RNA)
where:
Base-Base interactions energy: -404.836
where: short stacking energy: -197.491
Base-Backbone interact. energy: -0.379
local terms energy: -231.562729
where:
bonds (distance) C4'-P energy: -45.866
bonds (distance) P-C4' energy: -46.932
flat angles C4'-P-C4' energy: -44.156
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -62.148
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: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -627.655186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.655186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.655186 (E_RNA)
where:
Base-Base interactions energy: -407.169
where: short stacking energy: -201.368
Base-Backbone interact. energy: -0.418
local terms energy: -220.068345
where:
bonds (distance) C4'-P energy: -44.859
bonds (distance) P-C4' energy: -42.796
flat angles C4'-P-C4' energy: -46.590
flat angles P-C4'-P energy: -26.702
tors. eta vs tors. theta energy: -59.122
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: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -605.465092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.465092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.465092 (E_RNA)
where:
Base-Base interactions energy: -408.292
where: short stacking energy: -175.085
Base-Backbone interact. energy: -0.337
local terms energy: -196.835632
where:
bonds (distance) C4'-P energy: -40.778
bonds (distance) P-C4' energy: -44.674
flat angles C4'-P-C4' energy: -30.750
flat angles P-C4'-P energy: -32.006
tors. eta vs tors. theta energy: -48.627
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: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -602.095270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.095270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.095270 (E_RNA)
where:
Base-Base interactions energy: -376.702
where: short stacking energy: -176.694
Base-Backbone interact. energy: -0.224
local terms energy: -225.169355
where:
bonds (distance) C4'-P energy: -49.089
bonds (distance) P-C4' energy: -46.167
flat angles C4'-P-C4' energy: -46.581
flat angles P-C4'-P energy: -30.204
tors. eta vs tors. theta energy: -53.128
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: 364
Temperature: 1.100000
Total energy: -417.013548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.013548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.013548 (E_RNA)
where:
Base-Base interactions energy: -246.831
where: short stacking energy: -113.645
Base-Backbone interact. energy: -0.262
local terms energy: -169.920366
where:
bonds (distance) C4'-P energy: -40.177
bonds (distance) P-C4' energy: -41.169
flat angles C4'-P-C4' energy: -40.203
flat angles P-C4'-P energy: -23.362
tors. eta vs tors. theta energy: -25.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -421.239999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.239999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.239999 (E_RNA)
where:
Base-Base interactions energy: -236.701
where: short stacking energy: -135.410
Base-Backbone interact. energy: -1.370
local terms energy: -183.169560
where:
bonds (distance) C4'-P energy: -41.845
bonds (distance) P-C4' energy: -41.269
flat angles C4'-P-C4' energy: -41.322
flat angles P-C4'-P energy: -23.998
tors. eta vs tors. theta energy: -34.736
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: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -324.321013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.321013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.321013 (E_RNA)
where:
Base-Base interactions energy: -177.144
where: short stacking energy: -96.315
Base-Backbone interact. energy: 0.137
local terms energy: -147.314190
where:
bonds (distance) C4'-P energy: -39.631
bonds (distance) P-C4' energy: -36.410
flat angles C4'-P-C4' energy: -47.887
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -290.163673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.163673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.163673 (E_RNA)
where:
Base-Base interactions energy: -135.700
where: short stacking energy: -82.301
Base-Backbone interact. energy: 0.386
local terms energy: -154.850428
where:
bonds (distance) C4'-P energy: -34.261
bonds (distance) P-C4' energy: -40.241
flat angles C4'-P-C4' energy: -38.474
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -214.152361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.152361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.152361 (E_RNA)
where:
Base-Base interactions energy: -79.195
where: short stacking energy: -54.910
Base-Backbone interact. energy: 0.310
local terms energy: -135.267533
where:
bonds (distance) C4'-P energy: -32.385
bonds (distance) P-C4' energy: -46.608
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -29.026
tors. eta vs tors. theta energy: 3.323
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: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -185.422121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.422121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.422121 (E_RNA)
where:
Base-Base interactions energy: -65.420
where: short stacking energy: -51.401
Base-Backbone interact. energy: 1.090
local terms energy: -121.092413
where:
bonds (distance) C4'-P energy: -30.714
bonds (distance) P-C4' energy: -30.913
flat angles C4'-P-C4' energy: -28.321
flat angles P-C4'-P energy: -25.886
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: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -624.444651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.444651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.444651 (E_RNA)
where:
Base-Base interactions energy: -408.729
where: short stacking energy: -192.933
Base-Backbone interact. energy: 0.509
local terms energy: -216.224170
where:
bonds (distance) C4'-P energy: -28.922
bonds (distance) P-C4' energy: -46.851
flat angles C4'-P-C4' energy: -44.996
flat angles P-C4'-P energy: -31.351
tors. eta vs tors. theta energy: -64.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -633.735498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.735498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.735498 (E_RNA)
where:
Base-Base interactions energy: -407.822
where: short stacking energy: -203.814
Base-Backbone interact. energy: 2.923
local terms energy: -228.836291
where:
bonds (distance) C4'-P energy: -44.000
bonds (distance) P-C4' energy: -46.652
flat angles C4'-P-C4' energy: -45.359
flat angles P-C4'-P energy: -31.265
tors. eta vs tors. theta energy: -61.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -599.319629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.319629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.319629 (E_RNA)
where:
Base-Base interactions energy: -406.988
where: short stacking energy: -163.310
Base-Backbone interact. energy: -2.775
local terms energy: -189.556507
where:
bonds (distance) C4'-P energy: -35.121
bonds (distance) P-C4' energy: -34.551
flat angles C4'-P-C4' energy: -45.056
flat angles P-C4'-P energy: -26.840
tors. eta vs tors. theta energy: -47.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -574.058546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.058546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.058546 (E_RNA)
where:
Base-Base interactions energy: -369.545
where: short stacking energy: -189.384
Base-Backbone interact. energy: -0.628
local terms energy: -203.885495
where:
bonds (distance) C4'-P energy: -38.466
bonds (distance) P-C4' energy: -50.292
flat angles C4'-P-C4' energy: -41.521
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -48.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -460.319518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.319518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.319518 (E_RNA)
where:
Base-Base interactions energy: -279.292
where: short stacking energy: -148.675
Base-Backbone interact. energy: -0.404
local terms energy: -180.624037
where:
bonds (distance) C4'-P energy: -45.131
bonds (distance) P-C4' energy: -38.930
flat angles C4'-P-C4' energy: -38.172
flat angles P-C4'-P energy: -30.086
tors. eta vs tors. theta energy: -28.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -367.671636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.671636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.671636 (E_RNA)
where:
Base-Base interactions energy: -217.121
where: short stacking energy: -114.023
Base-Backbone interact. energy: -0.543
local terms energy: -150.007308
where:
bonds (distance) C4'-P energy: -36.372
bonds (distance) P-C4' energy: -41.256
flat angles C4'-P-C4' energy: -35.501
flat angles P-C4'-P energy: -17.919
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -317.820440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.820440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.820440 (E_RNA)
where:
Base-Base interactions energy: -164.614
where: short stacking energy: -98.989
Base-Backbone interact. energy: 2.257
local terms energy: -155.464146
where:
bonds (distance) C4'-P energy: -40.127
bonds (distance) P-C4' energy: -40.913
flat angles C4'-P-C4' energy: -37.783
flat angles P-C4'-P energy: -21.492
tors. eta vs tors. theta energy: -15.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -290.872658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.872658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.872658 (E_RNA)
where:
Base-Base interactions energy: -136.368
where: short stacking energy: -77.809
Base-Backbone interact. energy: 1.686
local terms energy: -156.190009
where:
bonds (distance) C4'-P energy: -42.122
bonds (distance) P-C4' energy: -39.012
flat angles C4'-P-C4' energy: -35.504
flat angles P-C4'-P energy: -22.806
tors. eta vs tors. theta energy: -16.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -221.669457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.669457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.669457 (E_RNA)
where:
Base-Base interactions energy: -102.670
where: short stacking energy: -60.835
Base-Backbone interact. energy: -0.913
local terms energy: -118.087017
where:
bonds (distance) C4'-P energy: -33.933
bonds (distance) P-C4' energy: -35.639
flat angles C4'-P-C4' energy: -37.708
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -187.298752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.298752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.298752 (E_RNA)
where:
Base-Base interactions energy: -62.746
where: short stacking energy: -57.477
Base-Backbone interact. energy: -0.100
local terms energy: -124.453032
where:
bonds (distance) C4'-P energy: -40.149
bonds (distance) P-C4' energy: -34.152
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -22.713
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -651.143746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.143746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.143746 (E_RNA)
where:
Base-Base interactions energy: -426.400
where: short stacking energy: -205.861
Base-Backbone interact. energy: 0.494
local terms energy: -225.237857
where:
bonds (distance) C4'-P energy: -44.352
bonds (distance) P-C4' energy: -44.851
flat angles C4'-P-C4' energy: -43.180
flat angles P-C4'-P energy: -28.813
tors. eta vs tors. theta energy: -64.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -620.384645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.384645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.384645 (E_RNA)
where:
Base-Base interactions energy: -406.711
where: short stacking energy: -196.419
Base-Backbone interact. energy: -0.765
local terms energy: -212.909115
where:
bonds (distance) C4'-P energy: -43.834
bonds (distance) P-C4' energy: -44.022
flat angles C4'-P-C4' energy: -41.754
flat angles P-C4'-P energy: -25.947
tors. eta vs tors. theta energy: -57.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -596.658838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.658838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.658838 (E_RNA)
where:
Base-Base interactions energy: -395.808
where: short stacking energy: -176.879
Base-Backbone interact. energy: -1.711
local terms energy: -199.139703
where:
bonds (distance) C4'-P energy: -37.107
bonds (distance) P-C4' energy: -48.050
flat angles C4'-P-C4' energy: -46.544
flat angles P-C4'-P energy: -24.494
tors. eta vs tors. theta energy: -42.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -593.894790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.894790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.894790 (E_RNA)
where:
Base-Base interactions energy: -383.046
where: short stacking energy: -176.682
Base-Backbone interact. energy: -0.342
local terms energy: -210.506477
where:
bonds (distance) C4'-P energy: -41.997
bonds (distance) P-C4' energy: -41.586
flat angles C4'-P-C4' energy: -47.741
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -49.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -483.720585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.720585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.720585 (E_RNA)
where:
Base-Base interactions energy: -295.558
where: short stacking energy: -162.230
Base-Backbone interact. energy: 1.355
local terms energy: -189.518298
where:
bonds (distance) C4'-P energy: -39.241
bonds (distance) P-C4' energy: -35.789
flat angles C4'-P-C4' energy: -43.464
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: -44.315
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: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -391.546464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.546464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.546464 (E_RNA)
where:
Base-Base interactions energy: -235.788
where: short stacking energy: -110.644
Base-Backbone interact. energy: -0.949
local terms energy: -154.809447
where:
bonds (distance) C4'-P energy: -32.592
bonds (distance) P-C4' energy: -34.975
flat angles C4'-P-C4' energy: -41.303
flat angles P-C4'-P energy: -27.630
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -318.038206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.038206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.038206 (E_RNA)
where:
Base-Base interactions energy: -147.958
where: short stacking energy: -86.095
Base-Backbone interact. energy: -0.597
local terms energy: -169.483580
where:
bonds (distance) C4'-P energy: -43.230
bonds (distance) P-C4' energy: -41.281
flat angles C4'-P-C4' energy: -43.616
flat angles P-C4'-P energy: -22.851
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -292.395824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.395824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.395824 (E_RNA)
where:
Base-Base interactions energy: -144.359
where: short stacking energy: -87.426
Base-Backbone interact. energy: -0.386
local terms energy: -147.650046
where:
bonds (distance) C4'-P energy: -39.894
bonds (distance) P-C4' energy: -38.770
flat angles C4'-P-C4' energy: -41.606
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -7.345
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: 2
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -195.000480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.000480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.000480 (E_RNA)
where:
Base-Base interactions energy: -62.439
where: short stacking energy: -64.909
Base-Backbone interact. energy: -1.405
local terms energy: -131.156313
where:
bonds (distance) C4'-P energy: -44.396
bonds (distance) P-C4' energy: -37.952
flat angles C4'-P-C4' energy: -25.943
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -172.624825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.624825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.624825 (E_RNA)
where:
Base-Base interactions energy: -51.637
where: short stacking energy: -44.496
Base-Backbone interact. energy: -1.293
local terms energy: -119.695312
where:
bonds (distance) C4'-P energy: -25.399
bonds (distance) P-C4' energy: -43.636
flat angles C4'-P-C4' energy: -34.870
flat angles P-C4'-P energy: -16.682
tors. eta vs tors. theta energy: 0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -662.690811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.690811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.690811 (E_RNA)
where:
Base-Base interactions energy: -444.805
where: short stacking energy: -218.479
Base-Backbone interact. energy: -0.225
local terms energy: -217.660743
where:
bonds (distance) C4'-P energy: -35.142
bonds (distance) P-C4' energy: -39.476
flat angles C4'-P-C4' energy: -47.446
flat angles P-C4'-P energy: -31.826
tors. eta vs tors. theta energy: -63.771
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: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -607.757765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.757765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.757765 (E_RNA)
where:
Base-Base interactions energy: -397.038
where: short stacking energy: -168.301
Base-Backbone interact. energy: 0.169
local terms energy: -210.888793
where:
bonds (distance) C4'-P energy: -42.100
bonds (distance) P-C4' energy: -44.061
flat angles C4'-P-C4' energy: -46.521
flat angles P-C4'-P energy: -32.854
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: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -598.100473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.100473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.100473 (E_RNA)
where:
Base-Base interactions energy: -388.088
where: short stacking energy: -176.474
Base-Backbone interact. energy: -1.507
local terms energy: -208.505682
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -39.591
flat angles C4'-P-C4' energy: -39.537
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: -49.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -602.313116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.313116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.313116 (E_RNA)
where:
Base-Base interactions energy: -397.152
where: short stacking energy: -177.369
Base-Backbone interact. energy: 0.195
local terms energy: -205.356053
where:
bonds (distance) C4'-P energy: -42.650
bonds (distance) P-C4' energy: -36.454
flat angles C4'-P-C4' energy: -48.553
flat angles P-C4'-P energy: -26.920
tors. eta vs tors. theta energy: -50.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -455.302093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.302093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.302093 (E_RNA)
where:
Base-Base interactions energy: -278.966
where: short stacking energy: -139.333
Base-Backbone interact. energy: -0.411
local terms energy: -175.924391
where:
bonds (distance) C4'-P energy: -37.406
bonds (distance) P-C4' energy: -38.013
flat angles C4'-P-C4' energy: -38.319
flat angles P-C4'-P energy: -29.516
tors. eta vs tors. theta energy: -32.670
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: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -409.970716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.970716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.970716 (E_RNA)
where:
Base-Base interactions energy: -240.403
where: short stacking energy: -133.142
Base-Backbone interact. energy: -0.146
local terms energy: -169.420986
where:
bonds (distance) C4'-P energy: -35.509
bonds (distance) P-C4' energy: -39.784
flat angles C4'-P-C4' energy: -41.832
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -34.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -308.412395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.412395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.412395 (E_RNA)
where:
Base-Base interactions energy: -153.945
where: short stacking energy: -99.991
Base-Backbone interact. energy: -0.426
local terms energy: -154.041204
where:
bonds (distance) C4'-P energy: -34.406
bonds (distance) P-C4' energy: -44.761
flat angles C4'-P-C4' energy: -39.498
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -12.972
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: 2
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -232.152197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.152197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.152197 (E_RNA)
where:
Base-Base interactions energy: -85.417
where: short stacking energy: -61.950
Base-Backbone interact. energy: -1.363
local terms energy: -145.372467
where:
bonds (distance) C4'-P energy: -36.945
bonds (distance) P-C4' energy: -46.380
flat angles C4'-P-C4' energy: -25.817
flat angles P-C4'-P energy: -24.814
tors. eta vs tors. theta energy: -11.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -270.528069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.528069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.528069 (E_RNA)
where:
Base-Base interactions energy: -139.719
where: short stacking energy: -86.747
Base-Backbone interact. energy: 4.086
local terms energy: -134.895186
where:
bonds (distance) C4'-P energy: -38.534
bonds (distance) P-C4' energy: -37.081
flat angles C4'-P-C4' energy: -29.640
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: -5.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -167.246659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.246659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.246659 (E_RNA)
where:
Base-Base interactions energy: -57.934
where: short stacking energy: -49.711
Base-Backbone interact. energy: -1.257
local terms energy: -108.055359
where:
bonds (distance) C4'-P energy: -38.529
bonds (distance) P-C4' energy: -43.650
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -8.829
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: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -657.607397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.607397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.607397 (E_RNA)
where:
Base-Base interactions energy: -425.165
where: short stacking energy: -193.899
Base-Backbone interact. energy: 0.622
local terms energy: -233.064599
where:
bonds (distance) C4'-P energy: -46.237
bonds (distance) P-C4' energy: -43.296
flat angles C4'-P-C4' energy: -50.844
flat angles P-C4'-P energy: -35.570
tors. eta vs tors. theta energy: -57.117
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: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -614.202564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.202564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.202564 (E_RNA)
where:
Base-Base interactions energy: -408.899
where: short stacking energy: -179.402
Base-Backbone interact. energy: -0.834
local terms energy: -204.469463
where:
bonds (distance) C4'-P energy: -37.134
bonds (distance) P-C4' energy: -43.785
flat angles C4'-P-C4' energy: -45.394
flat angles P-C4'-P energy: -35.167
tors. eta vs tors. theta energy: -42.989
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: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -603.809643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.809643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.809643 (E_RNA)
where:
Base-Base interactions energy: -393.880
where: short stacking energy: -199.772
Base-Backbone interact. energy: 0.199
local terms energy: -210.128438
where:
bonds (distance) C4'-P energy: -40.582
bonds (distance) P-C4' energy: -29.659
flat angles C4'-P-C4' energy: -49.604
flat angles P-C4'-P energy: -34.580
tors. eta vs tors. theta energy: -55.703
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: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -574.498929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.498929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.498929 (E_RNA)
where:
Base-Base interactions energy: -387.790
where: short stacking energy: -185.019
Base-Backbone interact. energy: 0.010
local terms energy: -186.718287
where:
bonds (distance) C4'-P energy: -32.705
bonds (distance) P-C4' energy: -41.746
flat angles C4'-P-C4' energy: -41.573
flat angles P-C4'-P energy: -21.473
tors. eta vs tors. theta energy: -49.222
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: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -420.266093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.266093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.266093 (E_RNA)
where:
Base-Base interactions energy: -252.729
where: short stacking energy: -113.593
Base-Backbone interact. energy: -0.606
local terms energy: -166.930877
where:
bonds (distance) C4'-P energy: -37.804
bonds (distance) P-C4' energy: -36.574
flat angles C4'-P-C4' energy: -39.223
flat angles P-C4'-P energy: -26.434
tors. eta vs tors. theta energy: -26.896
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: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -427.098501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.098501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.098501 (E_RNA)
where:
Base-Base interactions energy: -244.516
where: short stacking energy: -136.301
Base-Backbone interact. energy: -0.657
local terms energy: -181.925413
where:
bonds (distance) C4'-P energy: -47.955
bonds (distance) P-C4' energy: -31.568
flat angles C4'-P-C4' energy: -35.450
flat angles P-C4'-P energy: -26.420
tors. eta vs tors. theta energy: -40.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -266.185553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.185553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.185553 (E_RNA)
where:
Base-Base interactions energy: -115.875
where: short stacking energy: -64.228
Base-Backbone interact. energy: -0.311
local terms energy: -149.999226
where:
bonds (distance) C4'-P energy: -39.006
bonds (distance) P-C4' energy: -36.241
flat angles C4'-P-C4' energy: -40.205
flat angles P-C4'-P energy: -26.296
tors. eta vs tors. theta energy: -8.250
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: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -271.516305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.516305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.516305 (E_RNA)
where:
Base-Base interactions energy: -137.438
where: short stacking energy: -82.970
Base-Backbone interact. energy: -0.717
local terms energy: -133.360897
where:
bonds (distance) C4'-P energy: -41.463
bonds (distance) P-C4' energy: -34.674
flat angles C4'-P-C4' energy: -31.717
flat angles P-C4'-P energy: -15.369
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -270.233127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.233127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.233127 (E_RNA)
where:
Base-Base interactions energy: -141.646
where: short stacking energy: -69.849
Base-Backbone interact. energy: 0.473
local terms energy: -129.060620
where:
bonds (distance) C4'-P energy: -35.581
bonds (distance) P-C4' energy: -38.972
flat angles C4'-P-C4' energy: -30.681
flat angles P-C4'-P energy: -22.750
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: 368
Temperature: 1.350000
Total energy: -180.007181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.007181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.007181 (E_RNA)
where:
Base-Base interactions energy: -64.420
where: short stacking energy: -59.559
Base-Backbone interact. energy: 0.149
local terms energy: -115.736554
where:
bonds (distance) C4'-P energy: -27.434
bonds (distance) P-C4' energy: -35.343
flat angles C4'-P-C4' energy: -25.045
flat angles P-C4'-P energy: -28.427
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -645.058421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.058421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.058421 (E_RNA)
where:
Base-Base interactions energy: -427.099
where: short stacking energy: -203.247
Base-Backbone interact. energy: -0.424
local terms energy: -217.534636
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -36.589
flat angles C4'-P-C4' energy: -43.722
flat angles P-C4'-P energy: -34.422
tors. eta vs tors. theta energy: -61.414
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: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -633.730371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.730371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.730371 (E_RNA)
where:
Base-Base interactions energy: -406.813
where: short stacking energy: -215.348
Base-Backbone interact. energy: -0.158
local terms energy: -226.758593
where:
bonds (distance) C4'-P energy: -38.699
bonds (distance) P-C4' energy: -41.208
flat angles C4'-P-C4' energy: -49.007
flat angles P-C4'-P energy: -33.176
tors. eta vs tors. theta energy: -64.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -600.696145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.696145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.696145 (E_RNA)
where:
Base-Base interactions energy: -386.905
where: short stacking energy: -162.494
Base-Backbone interact. energy: -4.736
local terms energy: -209.055895
where:
bonds (distance) C4'-P energy: -42.280
bonds (distance) P-C4' energy: -40.366
flat angles C4'-P-C4' energy: -43.060
flat angles P-C4'-P energy: -31.171
tors. eta vs tors. theta energy: -52.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -558.689289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.689289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.689289 (E_RNA)
where:
Base-Base interactions energy: -349.119
where: short stacking energy: -155.774
Base-Backbone interact. energy: -1.605
local terms energy: -207.964740
where:
bonds (distance) C4'-P energy: -47.161
bonds (distance) P-C4' energy: -44.894
flat angles C4'-P-C4' energy: -47.683
flat angles P-C4'-P energy: -27.088
tors. eta vs tors. theta energy: -41.139
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: 4
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -389.073228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.073228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.073228 (E_RNA)
where:
Base-Base interactions energy: -218.570
where: short stacking energy: -116.426
Base-Backbone interact. energy: 3.007
local terms energy: -173.510532
where:
bonds (distance) C4'-P energy: -36.296
bonds (distance) P-C4' energy: -40.712
flat angles C4'-P-C4' energy: -45.522
flat angles P-C4'-P energy: -29.848
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -436.574546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.574546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.574546 (E_RNA)
where:
Base-Base interactions energy: -261.057
where: short stacking energy: -132.003
Base-Backbone interact. energy: -0.147
local terms energy: -175.370566
where:
bonds (distance) C4'-P energy: -38.650
bonds (distance) P-C4' energy: -41.121
flat angles C4'-P-C4' energy: -42.598
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -25.953
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: 2
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -275.872787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.872787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.872787 (E_RNA)
where:
Base-Base interactions energy: -121.771
where: short stacking energy: -69.887
Base-Backbone interact. energy: -0.590
local terms energy: -153.511278
where:
bonds (distance) C4'-P energy: -33.367
bonds (distance) P-C4' energy: -38.343
flat angles C4'-P-C4' energy: -43.770
flat angles P-C4'-P energy: -24.684
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -270.947044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.947044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.947044 (E_RNA)
where:
Base-Base interactions energy: -131.193
where: short stacking energy: -73.437
Base-Backbone interact. energy: -0.655
local terms energy: -139.099083
where:
bonds (distance) C4'-P energy: -35.002
bonds (distance) P-C4' energy: -45.066
flat angles C4'-P-C4' energy: -27.591
flat angles P-C4'-P energy: -29.549
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: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -268.835850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.835850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.835850 (E_RNA)
where:
Base-Base interactions energy: -127.906
where: short stacking energy: -81.943
Base-Backbone interact. energy: -0.349
local terms energy: -140.581281
where:
bonds (distance) C4'-P energy: -39.353
bonds (distance) P-C4' energy: -36.219
flat angles C4'-P-C4' energy: -34.058
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -178.937357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.937357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.937357 (E_RNA)
where:
Base-Base interactions energy: -35.664
where: short stacking energy: -35.664
Base-Backbone interact. energy: -0.329
local terms energy: -142.944060
where:
bonds (distance) C4'-P energy: -43.012
bonds (distance) P-C4' energy: -40.654
flat angles C4'-P-C4' energy: -42.936
flat angles P-C4'-P energy: -18.722
tors. eta vs tors. theta energy: 2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -634.969122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.969122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.969122 (E_RNA)
where:
Base-Base interactions energy: -406.346
where: short stacking energy: -208.331
Base-Backbone interact. energy: -0.149
local terms energy: -228.474280
where:
bonds (distance) C4'-P energy: -37.535
bonds (distance) P-C4' energy: -42.182
flat angles C4'-P-C4' energy: -56.189
flat angles P-C4'-P energy: -30.923
tors. eta vs tors. theta energy: -61.646
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: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -653.428284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.428284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.428284 (E_RNA)
where:
Base-Base interactions energy: -434.503
where: short stacking energy: -210.226
Base-Backbone interact. energy: -0.200
local terms energy: -218.725810
where:
bonds (distance) C4'-P energy: -35.948
bonds (distance) P-C4' energy: -41.174
flat angles C4'-P-C4' energy: -49.138
flat angles P-C4'-P energy: -28.378
tors. eta vs tors. theta energy: -64.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -588.049618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.049618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.049618 (E_RNA)
where:
Base-Base interactions energy: -374.049
where: short stacking energy: -169.023
Base-Backbone interact. energy: 0.609
local terms energy: -214.609228
where:
bonds (distance) C4'-P energy: -42.404
bonds (distance) P-C4' energy: -42.296
flat angles C4'-P-C4' energy: -48.267
flat angles P-C4'-P energy: -32.979
tors. eta vs tors. theta energy: -48.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -579.951593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.951593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.951593 (E_RNA)
where:
Base-Base interactions energy: -379.065
where: short stacking energy: -175.363
Base-Backbone interact. energy: -0.608
local terms energy: -200.279102
where:
bonds (distance) C4'-P energy: -46.502
bonds (distance) P-C4' energy: -39.411
flat angles C4'-P-C4' energy: -42.943
flat angles P-C4'-P energy: -24.112
tors. eta vs tors. theta energy: -47.311
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: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -408.783440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.783440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.783440 (E_RNA)
where:
Base-Base interactions energy: -235.588
where: short stacking energy: -112.430
Base-Backbone interact. energy: -0.038
local terms energy: -173.157434
where:
bonds (distance) C4'-P energy: -40.663
bonds (distance) P-C4' energy: -41.170
flat angles C4'-P-C4' energy: -44.011
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -21.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -389.141295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.141295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.141295 (E_RNA)
where:
Base-Base interactions energy: -238.226
where: short stacking energy: -113.882
Base-Backbone interact. energy: 0.243
local terms energy: -151.157934
where:
bonds (distance) C4'-P energy: -36.664
bonds (distance) P-C4' energy: -36.260
flat angles C4'-P-C4' energy: -37.615
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -27.480
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: 1
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -305.674037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.674037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.674037 (E_RNA)
where:
Base-Base interactions energy: -143.619
where: short stacking energy: -78.057
Base-Backbone interact. energy: -0.674
local terms energy: -161.380895
where:
bonds (distance) C4'-P energy: -36.354
bonds (distance) P-C4' energy: -45.985
flat angles C4'-P-C4' energy: -39.632
flat angles P-C4'-P energy: -30.242
tors. eta vs tors. theta energy: -9.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -227.836998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.836998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.836998 (E_RNA)
where:
Base-Base interactions energy: -81.495
where: short stacking energy: -66.710
Base-Backbone interact. energy: -0.538
local terms energy: -145.804293
where:
bonds (distance) C4'-P energy: -41.860
bonds (distance) P-C4' energy: -34.255
flat angles C4'-P-C4' energy: -35.567
flat angles P-C4'-P energy: -23.914
tors. eta vs tors. theta energy: -10.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -200.710882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.710882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.710882 (E_RNA)
where:
Base-Base interactions energy: -65.894
where: short stacking energy: -48.182
Base-Backbone interact. energy: -0.464
local terms energy: -134.352545
where:
bonds (distance) C4'-P energy: -33.515
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -42.703
flat angles P-C4'-P energy: -16.485
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: 10, replica: 6
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -249.329582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.329582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.329582 (E_RNA)
where:
Base-Base interactions energy: -127.311
where: short stacking energy: -67.055
Base-Backbone interact. energy: 2.771
local terms energy: -124.788977
where:
bonds (distance) C4'-P energy: -36.733
bonds (distance) P-C4' energy: -31.166
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -29.256
tors. eta vs tors. theta energy: -0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -649.477259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.477259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.477259 (E_RNA)
where:
Base-Base interactions energy: -434.531
where: short stacking energy: -196.969
Base-Backbone interact. energy: 1.871
local terms energy: -216.817387
where:
bonds (distance) C4'-P energy: -47.910
bonds (distance) P-C4' energy: -38.631
flat angles C4'-P-C4' energy: -41.846
flat angles P-C4'-P energy: -31.324
tors. eta vs tors. theta energy: -57.106
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: 5
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -627.022189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.022189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.022189 (E_RNA)
where:
Base-Base interactions energy: -413.994
where: short stacking energy: -191.400
Base-Backbone interact. energy: -0.846
local terms energy: -212.182025
where:
bonds (distance) C4'-P energy: -37.734
bonds (distance) P-C4' energy: -40.817
flat angles C4'-P-C4' energy: -42.011
flat angles P-C4'-P energy: -32.436
tors. eta vs tors. theta energy: -59.184
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: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -579.688742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.688742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.688742 (E_RNA)
where:
Base-Base interactions energy: -381.168
where: short stacking energy: -154.315
Base-Backbone interact. energy: -0.268
local terms energy: -198.252191
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -39.012
flat angles C4'-P-C4' energy: -44.550
flat angles P-C4'-P energy: -22.609
tors. eta vs tors. theta energy: -44.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -593.946880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.946880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.946880 (E_RNA)
where:
Base-Base interactions energy: -403.035
where: short stacking energy: -167.741
Base-Backbone interact. energy: -1.518
local terms energy: -189.393643
where:
bonds (distance) C4'-P energy: -31.226
bonds (distance) P-C4' energy: -37.444
flat angles C4'-P-C4' energy: -41.687
flat angles P-C4'-P energy: -35.840
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: 5, replica: 10
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -461.783698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.783698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.783698 (E_RNA)
where:
Base-Base interactions energy: -273.380
where: short stacking energy: -150.053
Base-Backbone interact. energy: -0.664
local terms energy: -187.740470
where:
bonds (distance) C4'-P energy: -37.663
bonds (distance) P-C4' energy: -41.162
flat angles C4'-P-C4' energy: -38.099
flat angles P-C4'-P energy: -35.958
tors. eta vs tors. theta energy: -34.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -394.003078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.003078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.003078 (E_RNA)
where:
Base-Base interactions energy: -231.962
where: short stacking energy: -110.257
Base-Backbone interact. energy: 2.114
local terms energy: -164.155568
where:
bonds (distance) C4'-P energy: -35.758
bonds (distance) P-C4' energy: -34.681
flat angles C4'-P-C4' energy: -40.200
flat angles P-C4'-P energy: -18.829
tors. eta vs tors. theta energy: -34.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -297.698982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.698982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.698982 (E_RNA)
where:
Base-Base interactions energy: -141.003
where: short stacking energy: -87.467
Base-Backbone interact. energy: -0.730
local terms energy: -155.965448
where:
bonds (distance) C4'-P energy: -38.465
bonds (distance) P-C4' energy: -38.751
flat angles C4'-P-C4' energy: -39.303
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -16.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -199.800456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.800456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.800456 (E_RNA)
where:
Base-Base interactions energy: -61.735
where: short stacking energy: -62.135
Base-Backbone interact. energy: -0.593
local terms energy: -137.472297
where:
bonds (distance) C4'-P energy: -36.810
bonds (distance) P-C4' energy: -41.274
flat angles C4'-P-C4' energy: -26.819
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -231.586120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.586120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.586120 (E_RNA)
where:
Base-Base interactions energy: -76.431
where: short stacking energy: -55.230
Base-Backbone interact. energy: -1.840
local terms energy: -153.315238
where:
bonds (distance) C4'-P energy: -43.029
bonds (distance) P-C4' energy: -45.214
flat angles C4'-P-C4' energy: -40.596
flat angles P-C4'-P energy: -20.379
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: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -254.626365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.626365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.626365 (E_RNA)
where:
Base-Base interactions energy: -129.059
where: short stacking energy: -53.790
Base-Backbone interact. energy: -0.039
local terms energy: -125.528758
where:
bonds (distance) C4'-P energy: -36.557
bonds (distance) P-C4' energy: -34.959
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -15.778
tors. eta vs tors. theta energy: -10.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -672.811817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.811817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.811817 (E_RNA)
where:
Base-Base interactions energy: -446.740
where: short stacking energy: -213.164
Base-Backbone interact. energy: 1.581
local terms energy: -227.652624
where:
bonds (distance) C4'-P energy: -39.478
bonds (distance) P-C4' energy: -39.743
flat angles C4'-P-C4' energy: -51.616
flat angles P-C4'-P energy: -32.440
tors. eta vs tors. theta energy: -64.375
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: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -631.751639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.751639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.751639 (E_RNA)
where:
Base-Base interactions energy: -411.515
where: short stacking energy: -190.696
Base-Backbone interact. energy: -0.502
local terms energy: -219.734226
where:
bonds (distance) C4'-P energy: -40.875
bonds (distance) P-C4' energy: -40.012
flat angles C4'-P-C4' energy: -42.625
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: -62.816
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: 372
Temperature: 1.000000
Total energy: -611.856671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.856671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.856671 (E_RNA)
where:
Base-Base interactions energy: -410.832
where: short stacking energy: -178.332
Base-Backbone interact. energy: -0.192
local terms energy: -200.833111
where:
bonds (distance) C4'-P energy: -45.011
bonds (distance) P-C4' energy: -31.361
flat angles C4'-P-C4' energy: -41.941
flat angles P-C4'-P energy: -32.804
tors. eta vs tors. theta energy: -49.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -589.430434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.430434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.430434 (E_RNA)
where:
Base-Base interactions energy: -394.555
where: short stacking energy: -163.517
Base-Backbone interact. energy: 1.441
local terms energy: -196.316159
where:
bonds (distance) C4'-P energy: -37.783
bonds (distance) P-C4' energy: -40.264
flat angles C4'-P-C4' energy: -43.351
flat angles P-C4'-P energy: -34.627
tors. eta vs tors. theta energy: -40.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -427.097934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.097934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.097934 (E_RNA)
where:
Base-Base interactions energy: -247.121
where: short stacking energy: -136.400
Base-Backbone interact. energy: -0.470
local terms energy: -179.507180
where:
bonds (distance) C4'-P energy: -39.357
bonds (distance) P-C4' energy: -36.739
flat angles C4'-P-C4' energy: -39.385
flat angles P-C4'-P energy: -24.086
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: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -406.144372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.144372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.144372 (E_RNA)
where:
Base-Base interactions energy: -251.021
where: short stacking energy: -129.133
Base-Backbone interact. energy: 0.418
local terms energy: -155.541082
where:
bonds (distance) C4'-P energy: -30.045
bonds (distance) P-C4' energy: -34.090
flat angles C4'-P-C4' energy: -34.701
flat angles P-C4'-P energy: -24.050
tors. eta vs tors. theta energy: -32.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -311.343956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.343956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.343956 (E_RNA)
where:
Base-Base interactions energy: -158.143
where: short stacking energy: -82.859
Base-Backbone interact. energy: -0.989
local terms energy: -152.212440
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -41.842
flat angles C4'-P-C4' energy: -26.343
flat angles P-C4'-P energy: -31.138
tors. eta vs tors. theta energy: -16.283
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: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -215.929316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.929316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.929316 (E_RNA)
where:
Base-Base interactions energy: -68.459
where: short stacking energy: -68.459
Base-Backbone interact. energy: 0.195
local terms energy: -147.665694
where:
bonds (distance) C4'-P energy: -44.250
bonds (distance) P-C4' energy: -43.636
flat angles C4'-P-C4' energy: -38.328
flat angles P-C4'-P energy: -26.481
tors. eta vs tors. theta energy: 5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -276.372762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.372762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.372762 (E_RNA)
where:
Base-Base interactions energy: -137.139
where: short stacking energy: -70.288
Base-Backbone interact. energy: -0.427
local terms energy: -138.806192
where:
bonds (distance) C4'-P energy: -42.419
bonds (distance) P-C4' energy: -42.741
flat angles C4'-P-C4' energy: -33.159
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -199.446796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.446796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.446796 (E_RNA)
where:
Base-Base interactions energy: -86.004
where: short stacking energy: -69.925
Base-Backbone interact. energy: 0.371
local terms energy: -113.813719
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -34.998
flat angles C4'-P-C4' energy: -34.891
flat angles P-C4'-P energy: -16.200
tors. eta vs tors. theta energy: -9.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -663.629562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.629562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.629562 (E_RNA)
where:
Base-Base interactions energy: -438.951
where: short stacking energy: -214.948
Base-Backbone interact. energy: 0.491
local terms energy: -225.169195
where:
bonds (distance) C4'-P energy: -33.749
bonds (distance) P-C4' energy: -46.505
flat angles C4'-P-C4' energy: -41.241
flat angles P-C4'-P energy: -36.090
tors. eta vs tors. theta energy: -67.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -642.402180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.402180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.402180 (E_RNA)
where:
Base-Base interactions energy: -416.856
where: short stacking energy: -208.300
Base-Backbone interact. energy: -0.473
local terms energy: -225.072982
where:
bonds (distance) C4'-P energy: -45.774
bonds (distance) P-C4' energy: -47.603
flat angles C4'-P-C4' energy: -45.611
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -65.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -581.085222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.085222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.085222 (E_RNA)
where:
Base-Base interactions energy: -379.165
where: short stacking energy: -173.677
Base-Backbone interact. energy: -0.617
local terms energy: -201.303184
where:
bonds (distance) C4'-P energy: -42.938
bonds (distance) P-C4' energy: -44.582
flat angles C4'-P-C4' energy: -39.586
flat angles P-C4'-P energy: -30.200
tors. eta vs tors. theta energy: -43.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -578.479296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.479296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.479296 (E_RNA)
where:
Base-Base interactions energy: -368.464
where: short stacking energy: -174.412
Base-Backbone interact. energy: 1.278
local terms energy: -211.293034
where:
bonds (distance) C4'-P energy: -37.013
bonds (distance) P-C4' energy: -44.052
flat angles C4'-P-C4' energy: -44.688
flat angles P-C4'-P energy: -29.736
tors. eta vs tors. theta energy: -55.805
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: 4
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -401.242359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.242359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.242359 (E_RNA)
where:
Base-Base interactions energy: -228.241
where: short stacking energy: -120.831
Base-Backbone interact. energy: -0.892
local terms energy: -172.109083
where:
bonds (distance) C4'-P energy: -41.455
bonds (distance) P-C4' energy: -29.353
flat angles C4'-P-C4' energy: -41.987
flat angles P-C4'-P energy: -29.702
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -396.168711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.168711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.168711 (E_RNA)
where:
Base-Base interactions energy: -241.895
where: short stacking energy: -106.909
Base-Backbone interact. energy: -1.044
local terms energy: -153.229688
where:
bonds (distance) C4'-P energy: -32.337
bonds (distance) P-C4' energy: -41.586
flat angles C4'-P-C4' energy: -32.716
flat angles P-C4'-P energy: -30.466
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -322.425166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.425166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.425166 (E_RNA)
where:
Base-Base interactions energy: -176.339
where: short stacking energy: -99.018
Base-Backbone interact. energy: 2.207
local terms energy: -148.293509
where:
bonds (distance) C4'-P energy: -41.267
bonds (distance) P-C4' energy: -41.618
flat angles C4'-P-C4' energy: -40.476
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -6.191
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: 8, replica: 6
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -271.113141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.113141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.113141 (E_RNA)
where:
Base-Base interactions energy: -136.228
where: short stacking energy: -83.654
Base-Backbone interact. energy: -1.515
local terms energy: -133.369688
where:
bonds (distance) C4'-P energy: -31.018
bonds (distance) P-C4' energy: -36.553
flat angles C4'-P-C4' energy: -35.619
flat angles P-C4'-P energy: -22.576
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -204.376035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.376035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.376035 (E_RNA)
where:
Base-Base interactions energy: -78.488
where: short stacking energy: -68.244
Base-Backbone interact. energy: -2.027
local terms energy: -123.861103
where:
bonds (distance) C4'-P energy: -35.835
bonds (distance) P-C4' energy: -39.652
flat angles C4'-P-C4' energy: -29.161
flat angles P-C4'-P energy: -19.187
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: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -195.199118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.199118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.199118 (E_RNA)
where:
Base-Base interactions energy: -76.312
where: short stacking energy: -55.326
Base-Backbone interact. energy: 0.212
local terms energy: -119.099148
where:
bonds (distance) C4'-P energy: -41.122
bonds (distance) P-C4' energy: -41.599
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: 0.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -653.920731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.920731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.920731 (E_RNA)
where:
Base-Base interactions energy: -429.221
where: short stacking energy: -212.197
Base-Backbone interact. energy: 0.461
local terms energy: -225.160437
where:
bonds (distance) C4'-P energy: -47.939
bonds (distance) P-C4' energy: -39.592
flat angles C4'-P-C4' energy: -49.625
flat angles P-C4'-P energy: -29.792
tors. eta vs tors. theta energy: -58.214
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: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -652.186317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.186317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.186317 (E_RNA)
where:
Base-Base interactions energy: -428.556
where: short stacking energy: -198.002
Base-Backbone interact. energy: -0.232
local terms energy: -223.398530
where:
bonds (distance) C4'-P energy: -37.248
bonds (distance) P-C4' energy: -43.400
flat angles C4'-P-C4' energy: -44.993
flat angles P-C4'-P energy: -37.758
tors. eta vs tors. theta energy: -60.000
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: 7
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -618.926964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.926964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.926964 (E_RNA)
where:
Base-Base interactions energy: -396.839
where: short stacking energy: -180.873
Base-Backbone interact. energy: 2.101
local terms energy: -224.188663
where:
bonds (distance) C4'-P energy: -44.652
bonds (distance) P-C4' energy: -41.269
flat angles C4'-P-C4' energy: -49.293
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -61.066
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: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -610.469461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.469461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.469461 (E_RNA)
where:
Base-Base interactions energy: -411.260
where: short stacking energy: -186.463
Base-Backbone interact. energy: -3.797
local terms energy: -195.412612
where:
bonds (distance) C4'-P energy: -42.511
bonds (distance) P-C4' energy: -39.423
flat angles C4'-P-C4' energy: -36.836
flat angles P-C4'-P energy: -24.663
tors. eta vs tors. theta energy: -51.979
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: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -441.323341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.323341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.323341 (E_RNA)
where:
Base-Base interactions energy: -270.243
where: short stacking energy: -132.737
Base-Backbone interact. energy: -0.422
local terms energy: -170.658606
where:
bonds (distance) C4'-P energy: -41.367
bonds (distance) P-C4' energy: -47.715
flat angles C4'-P-C4' energy: -32.633
flat angles P-C4'-P energy: -23.075
tors. eta vs tors. theta energy: -25.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -403.915736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.915736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.915736 (E_RNA)
where:
Base-Base interactions energy: -231.488
where: short stacking energy: -129.861
Base-Backbone interact. energy: -1.101
local terms energy: -171.326736
where:
bonds (distance) C4'-P energy: -39.404
bonds (distance) P-C4' energy: -41.519
flat angles C4'-P-C4' energy: -41.526
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -26.756
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: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -272.331418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.331418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.331418 (E_RNA)
where:
Base-Base interactions energy: -134.209
where: short stacking energy: -82.030
Base-Backbone interact. energy: -0.271
local terms energy: -137.851888
where:
bonds (distance) C4'-P energy: -30.961
bonds (distance) P-C4' energy: -43.404
flat angles C4'-P-C4' energy: -39.360
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -284.118682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.118682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.118682 (E_RNA)
where:
Base-Base interactions energy: -138.046
where: short stacking energy: -81.216
Base-Backbone interact. energy: 0.876
local terms energy: -146.948733
where:
bonds (distance) C4'-P energy: -42.218
bonds (distance) P-C4' energy: -39.039
flat angles C4'-P-C4' energy: -38.849
flat angles P-C4'-P energy: -24.799
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: 9, replica: 2
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -194.078783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.078783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.078783 (E_RNA)
where:
Base-Base interactions energy: -80.753
where: short stacking energy: -55.527
Base-Backbone interact. energy: -0.131
local terms energy: -113.194109
where:
bonds (distance) C4'-P energy: -44.921
bonds (distance) P-C4' energy: -31.555
flat angles C4'-P-C4' energy: -29.892
flat angles P-C4'-P energy: -12.477
tors. eta vs tors. theta energy: 5.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -175.286167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.286167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.286167 (E_RNA)
where:
Base-Base interactions energy: -61.563
where: short stacking energy: -53.794
Base-Backbone interact. energy: -0.662
local terms energy: -113.061002
where:
bonds (distance) C4'-P energy: -29.792
bonds (distance) P-C4' energy: -35.176
flat angles C4'-P-C4' energy: -34.638
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: 2.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -657.642668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.642668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.642668 (E_RNA)
where:
Base-Base interactions energy: -428.723
where: short stacking energy: -205.704
Base-Backbone interact. energy: -1.099
local terms energy: -227.820667
where:
bonds (distance) C4'-P energy: -32.727
bonds (distance) P-C4' energy: -45.706
flat angles C4'-P-C4' energy: -46.505
flat angles P-C4'-P energy: -36.872
tors. eta vs tors. theta energy: -66.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -630.193454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.193454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.193454 (E_RNA)
where:
Base-Base interactions energy: -414.729
where: short stacking energy: -193.949
Base-Backbone interact. energy: -0.327
local terms energy: -215.137341
where:
bonds (distance) C4'-P energy: -36.866
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -50.186
flat angles P-C4'-P energy: -32.923
tors. eta vs tors. theta energy: -57.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -610.831485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.831485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.831485 (E_RNA)
where:
Base-Base interactions energy: -387.259
where: short stacking energy: -179.620
Base-Backbone interact. energy: -0.031
local terms energy: -223.541781
where:
bonds (distance) C4'-P energy: -43.277
bonds (distance) P-C4' energy: -40.853
flat angles C4'-P-C4' energy: -46.631
flat angles P-C4'-P energy: -39.485
tors. eta vs tors. theta energy: -53.295
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: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -579.889936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.889936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.889936 (E_RNA)
where:
Base-Base interactions energy: -390.480
where: short stacking energy: -159.140
Base-Backbone interact. energy: -0.543
local terms energy: -188.866890
where:
bonds (distance) C4'-P energy: -30.286
bonds (distance) P-C4' energy: -36.984
flat angles C4'-P-C4' energy: -40.093
flat angles P-C4'-P energy: -29.237
tors. eta vs tors. theta energy: -52.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -446.294707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.294707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.294707 (E_RNA)
where:
Base-Base interactions energy: -272.606
where: short stacking energy: -131.914
Base-Backbone interact. energy: 0.287
local terms energy: -173.975965
where:
bonds (distance) C4'-P energy: -28.555
bonds (distance) P-C4' energy: -38.113
flat angles C4'-P-C4' energy: -44.051
flat angles P-C4'-P energy: -27.461
tors. eta vs tors. theta energy: -35.796
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: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -410.692085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.692085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.692085 (E_RNA)
where:
Base-Base interactions energy: -248.200
where: short stacking energy: -136.669
Base-Backbone interact. energy: -0.237
local terms energy: -162.255278
where:
bonds (distance) C4'-P energy: -38.520
bonds (distance) P-C4' energy: -26.580
flat angles C4'-P-C4' energy: -37.584
flat angles P-C4'-P energy: -29.060
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: 375
Temperature: 1.200000
Total energy: -284.480673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.480673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.480673 (E_RNA)
where:
Base-Base interactions energy: -135.708
where: short stacking energy: -98.414
Base-Backbone interact. energy: 1.703
local terms energy: -150.476143
where:
bonds (distance) C4'-P energy: -47.623
bonds (distance) P-C4' energy: -42.097
flat angles C4'-P-C4' energy: -32.598
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -288.865981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.865981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.865981 (E_RNA)
where:
Base-Base interactions energy: -136.111
where: short stacking energy: -82.545
Base-Backbone interact. energy: -1.618
local terms energy: -151.137031
where:
bonds (distance) C4'-P energy: -32.391
bonds (distance) P-C4' energy: -44.233
flat angles C4'-P-C4' energy: -37.605
flat angles P-C4'-P energy: -21.688
tors. eta vs tors. theta energy: -15.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -206.773131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.773131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.773131 (E_RNA)
where:
Base-Base interactions energy: -77.100
where: short stacking energy: -62.091
Base-Backbone interact. energy: -0.363
local terms energy: -129.310533
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -40.500
flat angles C4'-P-C4' energy: -28.987
flat angles P-C4'-P energy: -28.205
tors. eta vs tors. theta energy: -4.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -171.593740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.593740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.593740 (E_RNA)
where:
Base-Base interactions energy: -66.534
where: short stacking energy: -62.017
Base-Backbone interact. energy: -0.478
local terms energy: -104.581749
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -41.745
flat angles C4'-P-C4' energy: -33.043
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: 1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -652.545717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.545717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.545717 (E_RNA)
where:
Base-Base interactions energy: -423.310
where: short stacking energy: -207.006
Base-Backbone interact. energy: -0.778
local terms energy: -228.457628
where:
bonds (distance) C4'-P energy: -42.231
bonds (distance) P-C4' energy: -45.098
flat angles C4'-P-C4' energy: -44.890
flat angles P-C4'-P energy: -33.046
tors. eta vs tors. theta energy: -63.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -626.537409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.537409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.537409 (E_RNA)
where:
Base-Base interactions energy: -393.647
where: short stacking energy: -190.530
Base-Backbone interact. energy: -0.191
local terms energy: -232.700045
where:
bonds (distance) C4'-P energy: -46.176
bonds (distance) P-C4' energy: -42.851
flat angles C4'-P-C4' energy: -48.771
flat angles P-C4'-P energy: -37.527
tors. eta vs tors. theta energy: -57.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -631.607654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.607654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.607654 (E_RNA)
where:
Base-Base interactions energy: -426.171
where: short stacking energy: -153.839
Base-Backbone interact. energy: -1.537
local terms energy: -203.899211
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -41.981
flat angles C4'-P-C4' energy: -42.971
flat angles P-C4'-P energy: -29.106
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: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -576.368827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.368827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.368827 (E_RNA)
where:
Base-Base interactions energy: -365.870
where: short stacking energy: -174.518
Base-Backbone interact. energy: -0.092
local terms energy: -210.406463
where:
bonds (distance) C4'-P energy: -38.806
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -49.667
flat angles P-C4'-P energy: -32.212
tors. eta vs tors. theta energy: -55.482
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: 376
Temperature: 1.100000
Total energy: -463.696218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.696218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.696218 (E_RNA)
where:
Base-Base interactions energy: -292.635
where: short stacking energy: -148.003
Base-Backbone interact. energy: -0.157
local terms energy: -170.904810
where:
bonds (distance) C4'-P energy: -42.714
bonds (distance) P-C4' energy: -39.984
flat angles C4'-P-C4' energy: -36.980
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -30.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -417.749812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.749812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.749812 (E_RNA)
where:
Base-Base interactions energy: -241.963
where: short stacking energy: -137.400
Base-Backbone interact. energy: -0.616
local terms energy: -175.170979
where:
bonds (distance) C4'-P energy: -35.218
bonds (distance) P-C4' energy: -34.729
flat angles C4'-P-C4' energy: -39.487
flat angles P-C4'-P energy: -25.612
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: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -287.585421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.585421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.585421 (E_RNA)
where:
Base-Base interactions energy: -135.642
where: short stacking energy: -90.336
Base-Backbone interact. energy: -1.585
local terms energy: -150.359156
where:
bonds (distance) C4'-P energy: -31.735
bonds (distance) P-C4' energy: -42.553
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -22.290
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -302.395517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.395517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.395517 (E_RNA)
where:
Base-Base interactions energy: -146.368
where: short stacking energy: -83.561
Base-Backbone interact. energy: 0.318
local terms energy: -156.345931
where:
bonds (distance) C4'-P energy: -36.407
bonds (distance) P-C4' energy: -38.203
flat angles C4'-P-C4' energy: -41.077
flat angles P-C4'-P energy: -27.695
tors. eta vs tors. theta energy: -12.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -230.994026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.994026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.994026 (E_RNA)
where:
Base-Base interactions energy: -96.652
where: short stacking energy: -60.346
Base-Backbone interact. energy: -1.809
local terms energy: -132.533106
where:
bonds (distance) C4'-P energy: -38.684
bonds (distance) P-C4' energy: -46.661
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -18.350
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -192.080696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.080696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.080696 (E_RNA)
where:
Base-Base interactions energy: -62.393
where: short stacking energy: -47.519
Base-Backbone interact. energy: 1.685
local terms energy: -131.372818
where:
bonds (distance) C4'-P energy: -39.634
bonds (distance) P-C4' energy: -41.851
flat angles C4'-P-C4' energy: -27.730
flat angles P-C4'-P energy: -23.657
tors. eta vs tors. theta energy: 1.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -656.982955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.982955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.982955 (E_RNA)
where:
Base-Base interactions energy: -419.250
where: short stacking energy: -217.506
Base-Backbone interact. energy: -0.489
local terms energy: -237.243602
where:
bonds (distance) C4'-P energy: -41.712
bonds (distance) P-C4' energy: -47.223
flat angles C4'-P-C4' energy: -49.642
flat angles P-C4'-P energy: -32.573
tors. eta vs tors. theta energy: -66.094
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: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -622.401265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.401265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.401265 (E_RNA)
where:
Base-Base interactions energy: -429.259
where: short stacking energy: -185.676
Base-Backbone interact. energy: -0.205
local terms energy: -192.936541
where:
bonds (distance) C4'-P energy: -36.601
bonds (distance) P-C4' energy: -33.952
flat angles C4'-P-C4' energy: -45.924
flat angles P-C4'-P energy: -29.905
tors. eta vs tors. theta energy: -46.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -608.694287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.694287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.694287 (E_RNA)
where:
Base-Base interactions energy: -399.095
where: short stacking energy: -192.317
Base-Backbone interact. energy: -1.033
local terms energy: -208.565734
where:
bonds (distance) C4'-P energy: -46.676
bonds (distance) P-C4' energy: -41.391
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -32.673
tors. eta vs tors. theta energy: -55.373
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: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -575.395368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.395368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.395368 (E_RNA)
where:
Base-Base interactions energy: -375.227
where: short stacking energy: -163.880
Base-Backbone interact. energy: -0.218
local terms energy: -199.950777
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -41.464
flat angles C4'-P-C4' energy: -40.987
flat angles P-C4'-P energy: -31.081
tors. eta vs tors. theta energy: -45.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -476.877064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.877064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.877064 (E_RNA)
where:
Base-Base interactions energy: -294.879
where: short stacking energy: -148.227
Base-Backbone interact. energy: -0.231
local terms energy: -181.766507
where:
bonds (distance) C4'-P energy: -35.091
bonds (distance) P-C4' energy: -41.946
flat angles C4'-P-C4' energy: -39.825
flat angles P-C4'-P energy: -22.250
tors. eta vs tors. theta energy: -42.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -368.540246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.540246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.540246 (E_RNA)
where:
Base-Base interactions energy: -195.898
where: short stacking energy: -97.146
Base-Backbone interact. energy: 0.811
local terms energy: -173.453390
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -43.028
flat angles C4'-P-C4' energy: -40.997
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -29.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -292.234651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.234651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.234651 (E_RNA)
where:
Base-Base interactions energy: -147.720
where: short stacking energy: -93.306
Base-Backbone interact. energy: -1.429
local terms energy: -143.085602
where:
bonds (distance) C4'-P energy: -34.252
bonds (distance) P-C4' energy: -42.351
flat angles C4'-P-C4' energy: -32.709
flat angles P-C4'-P energy: -22.974
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -304.439508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.439508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.439508 (E_RNA)
where:
Base-Base interactions energy: -154.485
where: short stacking energy: -86.627
Base-Backbone interact. energy: -0.937
local terms energy: -149.017946
where:
bonds (distance) C4'-P energy: -27.360
bonds (distance) P-C4' energy: -51.841
flat angles C4'-P-C4' energy: -35.806
flat angles P-C4'-P energy: -20.168
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -193.197601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.197601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.197601 (E_RNA)
where:
Base-Base interactions energy: -78.974
where: short stacking energy: -43.610
Base-Backbone interact. energy: 0.299
local terms energy: -114.522683
where:
bonds (distance) C4'-P energy: -38.725
bonds (distance) P-C4' energy: -40.113
flat angles C4'-P-C4' energy: -37.122
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: 10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -195.314606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.314606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.314606 (E_RNA)
where:
Base-Base interactions energy: -65.838
where: short stacking energy: -55.970
Base-Backbone interact. energy: 0.589
local terms energy: -130.065140
where:
bonds (distance) C4'-P energy: -36.339
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -29.098
flat angles P-C4'-P energy: -14.257
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: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -665.698340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.698340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.698340 (E_RNA)
where:
Base-Base interactions energy: -431.876
where: short stacking energy: -216.163
Base-Backbone interact. energy: 1.104
local terms energy: -234.927264
where:
bonds (distance) C4'-P energy: -39.602
bonds (distance) P-C4' energy: -41.551
flat angles C4'-P-C4' energy: -50.660
flat angles P-C4'-P energy: -35.733
tors. eta vs tors. theta energy: -67.382
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: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -639.735553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.735553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.735553 (E_RNA)
where:
Base-Base interactions energy: -432.294
where: short stacking energy: -182.814
Base-Backbone interact. energy: -3.785
local terms energy: -203.656861
where:
bonds (distance) C4'-P energy: -41.856
bonds (distance) P-C4' energy: -44.400
flat angles C4'-P-C4' energy: -41.903
flat angles P-C4'-P energy: -28.651
tors. eta vs tors. theta energy: -46.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -596.503001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.503001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.503001 (E_RNA)
where:
Base-Base interactions energy: -386.415
where: short stacking energy: -189.125
Base-Backbone interact. energy: 0.677
local terms energy: -210.765145
where:
bonds (distance) C4'-P energy: -43.906
bonds (distance) P-C4' energy: -43.950
flat angles C4'-P-C4' energy: -46.551
flat angles P-C4'-P energy: -25.864
tors. eta vs tors. theta energy: -50.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -551.250227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.250227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.250227 (E_RNA)
where:
Base-Base interactions energy: -374.212
where: short stacking energy: -159.560
Base-Backbone interact. energy: -0.114
local terms energy: -176.924954
where:
bonds (distance) C4'-P energy: -30.534
bonds (distance) P-C4' energy: -37.047
flat angles C4'-P-C4' energy: -36.633
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -40.724
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: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -491.703436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.703436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.703436 (E_RNA)
where:
Base-Base interactions energy: -285.940
where: short stacking energy: -136.404
Base-Backbone interact. energy: -0.276
local terms energy: -205.487075
where:
bonds (distance) C4'-P energy: -49.587
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -47.120
flat angles P-C4'-P energy: -28.790
tors. eta vs tors. theta energy: -39.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -341.584784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.584784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.584784 (E_RNA)
where:
Base-Base interactions energy: -183.873
where: short stacking energy: -93.903
Base-Backbone interact. energy: 0.094
local terms energy: -157.805882
where:
bonds (distance) C4'-P energy: -42.122
bonds (distance) P-C4' energy: -46.270
flat angles C4'-P-C4' energy: -30.810
flat angles P-C4'-P energy: -21.660
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -300.306799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.306799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.306799 (E_RNA)
where:
Base-Base interactions energy: -145.694
where: short stacking energy: -98.112
Base-Backbone interact. energy: -1.095
local terms energy: -153.518417
where:
bonds (distance) C4'-P energy: -43.114
bonds (distance) P-C4' energy: -32.718
flat angles C4'-P-C4' energy: -36.972
flat angles P-C4'-P energy: -23.625
tors. eta vs tors. theta energy: -17.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -310.524494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.524494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.524494 (E_RNA)
where:
Base-Base interactions energy: -166.391
where: short stacking energy: -92.544
Base-Backbone interact. energy: -0.451
local terms energy: -143.682329
where:
bonds (distance) C4'-P energy: -26.591
bonds (distance) P-C4' energy: -36.819
flat angles C4'-P-C4' energy: -37.989
flat angles P-C4'-P energy: -26.701
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -205.560752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.560752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.560752 (E_RNA)
where:
Base-Base interactions energy: -78.291
where: short stacking energy: -55.740
Base-Backbone interact. energy: -0.598
local terms energy: -126.672456
where:
bonds (distance) C4'-P energy: -32.321
bonds (distance) P-C4' energy: -39.524
flat angles C4'-P-C4' energy: -31.676
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: 1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -184.289360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.289360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.289360 (E_RNA)
where:
Base-Base interactions energy: -72.756
where: short stacking energy: -66.705
Base-Backbone interact. energy: -1.033
local terms energy: -110.500546
where:
bonds (distance) C4'-P energy: -37.547
bonds (distance) P-C4' energy: -33.592
flat angles C4'-P-C4' energy: -24.733
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: 0.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -664.911708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.911708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.911708 (E_RNA)
where:
Base-Base interactions energy: -435.530
where: short stacking energy: -202.238
Base-Backbone interact. energy: -0.502
local terms energy: -228.880047
where:
bonds (distance) C4'-P energy: -42.139
bonds (distance) P-C4' energy: -43.274
flat angles C4'-P-C4' energy: -56.255
flat angles P-C4'-P energy: -29.257
tors. eta vs tors. theta energy: -57.955
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: 379
Temperature: 0.950000
Total energy: -651.859004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.859004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.859004 (E_RNA)
where:
Base-Base interactions energy: -423.858
where: short stacking energy: -191.342
Base-Backbone interact. energy: -1.518
local terms energy: -226.482596
where:
bonds (distance) C4'-P energy: -42.079
bonds (distance) P-C4' energy: -45.735
flat angles C4'-P-C4' energy: -49.356
flat angles P-C4'-P energy: -34.939
tors. eta vs tors. theta energy: -54.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -629.931401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.931401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.931401 (E_RNA)
where:
Base-Base interactions energy: -411.279
where: short stacking energy: -201.582
Base-Backbone interact. energy: -1.684
local terms energy: -216.968403
where:
bonds (distance) C4'-P energy: -41.533
bonds (distance) P-C4' energy: -35.916
flat angles C4'-P-C4' energy: -48.241
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: -58.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -579.344817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.344817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.344817 (E_RNA)
where:
Base-Base interactions energy: -384.903
where: short stacking energy: -178.502
Base-Backbone interact. energy: -0.026
local terms energy: -194.415838
where:
bonds (distance) C4'-P energy: -26.922
bonds (distance) P-C4' energy: -36.818
flat angles C4'-P-C4' energy: -42.926
flat angles P-C4'-P energy: -28.855
tors. eta vs tors. theta energy: -58.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -494.407386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.407386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.407386 (E_RNA)
where:
Base-Base interactions energy: -301.506
where: short stacking energy: -140.026
Base-Backbone interact. energy: -0.107
local terms energy: -192.794293
where:
bonds (distance) C4'-P energy: -40.265
bonds (distance) P-C4' energy: -47.672
flat angles C4'-P-C4' energy: -42.202
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -37.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -369.028753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.028753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.028753 (E_RNA)
where:
Base-Base interactions energy: -203.894
where: short stacking energy: -107.191
Base-Backbone interact. energy: -0.663
local terms energy: -164.472269
where:
bonds (distance) C4'-P energy: -38.206
bonds (distance) P-C4' energy: -41.122
flat angles C4'-P-C4' energy: -41.167
flat angles P-C4'-P energy: -29.357
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -313.402179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.402179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.402179 (E_RNA)
where:
Base-Base interactions energy: -166.266
where: short stacking energy: -84.756
Base-Backbone interact. energy: -0.646
local terms energy: -146.490313
where:
bonds (distance) C4'-P energy: -37.112
bonds (distance) P-C4' energy: -35.566
flat angles C4'-P-C4' energy: -33.928
flat angles P-C4'-P energy: -26.665
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -285.848851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.848851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.848851 (E_RNA)
where:
Base-Base interactions energy: -139.492
where: short stacking energy: -82.080
Base-Backbone interact. energy: -0.691
local terms energy: -145.665551
where:
bonds (distance) C4'-P energy: -44.241
bonds (distance) P-C4' energy: -32.789
flat angles C4'-P-C4' energy: -30.836
flat angles P-C4'-P energy: -25.919
tors. eta vs tors. theta energy: -11.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -186.987547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.987547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.987547 (E_RNA)
where:
Base-Base interactions energy: -64.455
where: short stacking energy: -53.132
Base-Backbone interact. energy: 0.173
local terms energy: -122.704899
where:
bonds (distance) C4'-P energy: -44.453
bonds (distance) P-C4' energy: -36.698
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -19.199
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: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -187.272331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.272331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.272331 (E_RNA)
where:
Base-Base interactions energy: -72.498
where: short stacking energy: -58.589
Base-Backbone interact. energy: 1.086
local terms energy: -115.859813
where:
bonds (distance) C4'-P energy: -33.728
bonds (distance) P-C4' energy: -44.100
flat angles C4'-P-C4' energy: -37.527
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: 10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -642.552582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.552582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.552582 (E_RNA)
where:
Base-Base interactions energy: -410.433
where: short stacking energy: -191.167
Base-Backbone interact. energy: -0.138
local terms energy: -231.981180
where:
bonds (distance) C4'-P energy: -44.611
bonds (distance) P-C4' energy: -49.012
flat angles C4'-P-C4' energy: -44.749
flat angles P-C4'-P energy: -37.894
tors. eta vs tors. theta energy: -55.714
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: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -615.852690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.852690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.852690 (E_RNA)
where:
Base-Base interactions energy: -415.080
where: short stacking energy: -169.939
Base-Backbone interact. energy: -0.373
local terms energy: -200.399916
where:
bonds (distance) C4'-P energy: -41.222
bonds (distance) P-C4' energy: -40.508
flat angles C4'-P-C4' energy: -46.609
flat angles P-C4'-P energy: -28.886
tors. eta vs tors. theta energy: -43.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -627.895921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.895921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.895921 (E_RNA)
where:
Base-Base interactions energy: -401.477
where: short stacking energy: -190.287
Base-Backbone interact. energy: -0.946
local terms energy: -225.473546
where:
bonds (distance) C4'-P energy: -41.046
bonds (distance) P-C4' energy: -44.220
flat angles C4'-P-C4' energy: -49.378
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: -61.384
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: 7
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -608.630868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.630868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.630868 (E_RNA)
where:
Base-Base interactions energy: -402.138
where: short stacking energy: -182.353
Base-Backbone interact. energy: 0.173
local terms energy: -206.665970
where:
bonds (distance) C4'-P energy: -34.041
bonds (distance) P-C4' energy: -48.291
flat angles C4'-P-C4' energy: -40.853
flat angles P-C4'-P energy: -28.460
tors. eta vs tors. theta energy: -55.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -492.007486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.007486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.007486 (E_RNA)
where:
Base-Base interactions energy: -293.484
where: short stacking energy: -155.385
Base-Backbone interact. energy: -0.333
local terms energy: -198.190979
where:
bonds (distance) C4'-P energy: -40.937
bonds (distance) P-C4' energy: -44.762
flat angles C4'-P-C4' energy: -43.646
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: -41.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -373.343290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.343290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.343290 (E_RNA)
where:
Base-Base interactions energy: -204.544
where: short stacking energy: -103.825
Base-Backbone interact. energy: -0.725
local terms energy: -168.074159
where:
bonds (distance) C4'-P energy: -46.200
bonds (distance) P-C4' energy: -44.283
flat angles C4'-P-C4' energy: -36.908
flat angles P-C4'-P energy: -20.603
tors. eta vs tors. theta energy: -20.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -296.247741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.247741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.247741 (E_RNA)
where:
Base-Base interactions energy: -152.343
where: short stacking energy: -87.098
Base-Backbone interact. energy: 0.093
local terms energy: -143.997364
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -38.692
flat angles C4'-P-C4' energy: -37.995
flat angles P-C4'-P energy: -27.221
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -291.440615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.440615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.440615 (E_RNA)
where:
Base-Base interactions energy: -148.012
where: short stacking energy: -92.167
Base-Backbone interact. energy: 4.108
local terms energy: -147.536248
where:
bonds (distance) C4'-P energy: -33.072
bonds (distance) P-C4' energy: -37.193
flat angles C4'-P-C4' energy: -49.251
flat angles P-C4'-P energy: -23.965
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -229.839271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.839271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.839271 (E_RNA)
where:
Base-Base interactions energy: -92.588
where: short stacking energy: -51.883
Base-Backbone interact. energy: -0.932
local terms energy: -136.319215
where:
bonds (distance) C4'-P energy: -40.756
bonds (distance) P-C4' energy: -41.041
flat angles C4'-P-C4' energy: -40.205
flat angles P-C4'-P energy: -18.900
tors. eta vs tors. theta energy: 4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -204.602482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.602482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.602482 (E_RNA)
where:
Base-Base interactions energy: -95.741
where: short stacking energy: -54.615
Base-Backbone interact. energy: 0.706
local terms energy: -109.566781
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -39.703
flat angles C4'-P-C4' energy: -32.828
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -2.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -655.539536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.539536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.539536 (E_RNA)
where:
Base-Base interactions energy: -428.093
where: short stacking energy: -203.554
Base-Backbone interact. energy: -0.646
local terms energy: -226.800956
where:
bonds (distance) C4'-P energy: -43.837
bonds (distance) P-C4' energy: -42.858
flat angles C4'-P-C4' energy: -45.924
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: -62.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -625.218161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.218161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.218161 (E_RNA)
where:
Base-Base interactions energy: -435.805
where: short stacking energy: -189.124
Base-Backbone interact. energy: -1.235
local terms energy: -188.178081
where:
bonds (distance) C4'-P energy: -36.491
bonds (distance) P-C4' energy: -34.696
flat angles C4'-P-C4' energy: -44.950
flat angles P-C4'-P energy: -31.514
tors. eta vs tors. theta energy: -40.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -595.749033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.749033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.749033 (E_RNA)
where:
Base-Base interactions energy: -374.779
where: short stacking energy: -192.387
Base-Backbone interact. energy: -0.721
local terms energy: -220.249850
where:
bonds (distance) C4'-P energy: -43.708
bonds (distance) P-C4' energy: -42.394
flat angles C4'-P-C4' energy: -45.456
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: -58.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -608.418847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.418847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.418847 (E_RNA)
where:
Base-Base interactions energy: -412.007
where: short stacking energy: -191.380
Base-Backbone interact. energy: -0.334
local terms energy: -196.077956
where:
bonds (distance) C4'-P energy: -33.286
bonds (distance) P-C4' energy: -38.997
flat angles C4'-P-C4' energy: -41.315
flat angles P-C4'-P energy: -27.041
tors. eta vs tors. theta energy: -55.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -452.219908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.219908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.219908 (E_RNA)
where:
Base-Base interactions energy: -280.459
where: short stacking energy: -145.592
Base-Backbone interact. energy: -1.309
local terms energy: -170.452162
where:
bonds (distance) C4'-P energy: -33.343
bonds (distance) P-C4' energy: -38.819
flat angles C4'-P-C4' energy: -40.122
flat angles P-C4'-P energy: -24.004
tors. eta vs tors. theta energy: -34.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -390.897397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.897397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.897397 (E_RNA)
where:
Base-Base interactions energy: -236.212
where: short stacking energy: -104.737
Base-Backbone interact. energy: 1.580
local terms energy: -156.265150
where:
bonds (distance) C4'-P energy: -34.770
bonds (distance) P-C4' energy: -37.190
flat angles C4'-P-C4' energy: -38.247
flat angles P-C4'-P energy: -24.746
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: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -329.969785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.969785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.969785 (E_RNA)
where:
Base-Base interactions energy: -164.773
where: short stacking energy: -95.777
Base-Backbone interact. energy: 2.590
local terms energy: -167.787166
where:
bonds (distance) C4'-P energy: -39.480
bonds (distance) P-C4' energy: -40.435
flat angles C4'-P-C4' energy: -43.884
flat angles P-C4'-P energy: -22.011
tors. eta vs tors. theta energy: -21.977
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: 6
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -291.995690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.995690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.995690 (E_RNA)
where:
Base-Base interactions energy: -137.000
where: short stacking energy: -77.144
Base-Backbone interact. energy: -0.657
local terms energy: -154.338163
where:
bonds (distance) C4'-P energy: -35.160
bonds (distance) P-C4' energy: -36.118
flat angles C4'-P-C4' energy: -33.088
flat angles P-C4'-P energy: -33.298
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -252.176991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.176991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.176991 (E_RNA)
where:
Base-Base interactions energy: -120.794
where: short stacking energy: -69.658
Base-Backbone interact. energy: -0.378
local terms energy: -131.004238
where:
bonds (distance) C4'-P energy: -42.167
bonds (distance) P-C4' energy: -40.188
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -5.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -187.369408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.369408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.369408 (E_RNA)
where:
Base-Base interactions energy: -62.227
where: short stacking energy: -51.507
Base-Backbone interact. energy: -1.166
local terms energy: -123.975815
where:
bonds (distance) C4'-P energy: -34.864
bonds (distance) P-C4' energy: -41.307
flat angles C4'-P-C4' energy: -35.197
flat angles P-C4'-P energy: -18.498
tors. eta vs tors. theta energy: 5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -653.682901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.682901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.682901 (E_RNA)
where:
Base-Base interactions energy: -419.129
where: short stacking energy: -202.558
Base-Backbone interact. energy: 0.820
local terms energy: -235.374627
where:
bonds (distance) C4'-P energy: -47.369
bonds (distance) P-C4' energy: -47.940
flat angles C4'-P-C4' energy: -42.826
flat angles P-C4'-P energy: -32.475
tors. eta vs tors. theta energy: -64.766
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: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -647.178336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.178336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.178336 (E_RNA)
where:
Base-Base interactions energy: -434.561
where: short stacking energy: -185.269
Base-Backbone interact. energy: -0.579
local terms energy: -212.038180
where:
bonds (distance) C4'-P energy: -40.427
bonds (distance) P-C4' energy: -40.270
flat angles C4'-P-C4' energy: -47.293
flat angles P-C4'-P energy: -32.523
tors. eta vs tors. theta energy: -51.525
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: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -595.329481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.329481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.329481 (E_RNA)
where:
Base-Base interactions energy: -376.767
where: short stacking energy: -178.647
Base-Backbone interact. energy: -0.162
local terms energy: -218.400513
where:
bonds (distance) C4'-P energy: -37.745
bonds (distance) P-C4' energy: -48.196
flat angles C4'-P-C4' energy: -47.959
flat angles P-C4'-P energy: -34.275
tors. eta vs tors. theta energy: -50.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -590.314091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.314091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.314091 (E_RNA)
where:
Base-Base interactions energy: -375.782
where: short stacking energy: -193.750
Base-Backbone interact. energy: -0.350
local terms energy: -214.181555
where:
bonds (distance) C4'-P energy: -39.385
bonds (distance) P-C4' energy: -39.255
flat angles C4'-P-C4' energy: -51.032
flat angles P-C4'-P energy: -28.515
tors. eta vs tors. theta energy: -55.995
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: 382
Temperature: 1.100000
Total energy: -497.492107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.492107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.492107 (E_RNA)
where:
Base-Base interactions energy: -304.811
where: short stacking energy: -150.463
Base-Backbone interact. energy: 0.786
local terms energy: -193.467236
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -40.726
flat angles C4'-P-C4' energy: -47.025
flat angles P-C4'-P energy: -32.698
tors. eta vs tors. theta energy: -36.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -330.938635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.938635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.938635 (E_RNA)
where:
Base-Base interactions energy: -188.375
where: short stacking energy: -107.341
Base-Backbone interact. energy: 2.998
local terms energy: -145.562481
where:
bonds (distance) C4'-P energy: -44.659
bonds (distance) P-C4' energy: -37.773
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -309.848727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.848727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.848727 (E_RNA)
where:
Base-Base interactions energy: -159.831
where: short stacking energy: -87.647
Base-Backbone interact. energy: -1.224
local terms energy: -148.793389
where:
bonds (distance) C4'-P energy: -41.580
bonds (distance) P-C4' energy: -35.145
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -22.908
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -280.383289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.383289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.383289 (E_RNA)
where:
Base-Base interactions energy: -139.741
where: short stacking energy: -86.639
Base-Backbone interact. energy: -1.254
local terms energy: -139.388018
where:
bonds (distance) C4'-P energy: -35.661
bonds (distance) P-C4' energy: -33.310
flat angles C4'-P-C4' energy: -41.867
flat angles P-C4'-P energy: -15.293
tors. eta vs tors. theta energy: -13.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -271.665484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.665484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.665484 (E_RNA)
where:
Base-Base interactions energy: -141.209
where: short stacking energy: -78.581
Base-Backbone interact. energy: -0.204
local terms energy: -130.252427
where:
bonds (distance) C4'-P energy: -36.209
bonds (distance) P-C4' energy: -39.613
flat angles C4'-P-C4' energy: -40.232
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -197.208814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.208814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.208814 (E_RNA)
where:
Base-Base interactions energy: -70.289
where: short stacking energy: -67.183
Base-Backbone interact. energy: -0.849
local terms energy: -126.071311
where:
bonds (distance) C4'-P energy: -39.079
bonds (distance) P-C4' energy: -37.693
flat angles C4'-P-C4' energy: -24.425
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -659.178275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.178275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.178275 (E_RNA)
where:
Base-Base interactions energy: -425.223
where: short stacking energy: -201.426
Base-Backbone interact. energy: -0.070
local terms energy: -233.885172
where:
bonds (distance) C4'-P energy: -39.905
bonds (distance) P-C4' energy: -46.120
flat angles C4'-P-C4' energy: -47.695
flat angles P-C4'-P energy: -37.286
tors. eta vs tors. theta energy: -62.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -648.359136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.359136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.359136 (E_RNA)
where:
Base-Base interactions energy: -437.720
where: short stacking energy: -189.579
Base-Backbone interact. energy: -0.017
local terms energy: -210.622172
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -39.797
flat angles C4'-P-C4' energy: -49.275
flat angles P-C4'-P energy: -26.210
tors. eta vs tors. theta energy: -49.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -585.447501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.447501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.447501 (E_RNA)
where:
Base-Base interactions energy: -376.904
where: short stacking energy: -161.958
Base-Backbone interact. energy: -0.027
local terms energy: -208.515981
where:
bonds (distance) C4'-P energy: -43.076
bonds (distance) P-C4' energy: -43.871
flat angles C4'-P-C4' energy: -42.893
flat angles P-C4'-P energy: -31.081
tors. eta vs tors. theta energy: -47.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -565.083767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.083767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.083767 (E_RNA)
where:
Base-Base interactions energy: -369.652
where: short stacking energy: -181.821
Base-Backbone interact. energy: -0.097
local terms energy: -195.334683
where:
bonds (distance) C4'-P energy: -43.461
bonds (distance) P-C4' energy: -31.645
flat angles C4'-P-C4' energy: -42.193
flat angles P-C4'-P energy: -29.451
tors. eta vs tors. theta energy: -48.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -476.486157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.486157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.486157 (E_RNA)
where:
Base-Base interactions energy: -297.836
where: short stacking energy: -145.972
Base-Backbone interact. energy: -0.326
local terms energy: -178.324428
where:
bonds (distance) C4'-P energy: -43.590
bonds (distance) P-C4' energy: -40.689
flat angles C4'-P-C4' energy: -38.323
flat angles P-C4'-P energy: -28.161
tors. eta vs tors. theta energy: -27.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -408.296688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.296688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.296688 (E_RNA)
where:
Base-Base interactions energy: -236.359
where: short stacking energy: -127.384
Base-Backbone interact. energy: -0.716
local terms energy: -171.222371
where:
bonds (distance) C4'-P energy: -47.902
bonds (distance) P-C4' energy: -31.337
flat angles C4'-P-C4' energy: -39.531
flat angles P-C4'-P energy: -22.585
tors. eta vs tors. theta energy: -29.868
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: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -312.401471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.401471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.401471 (E_RNA)
where:
Base-Base interactions energy: -185.521
where: short stacking energy: -82.720
Base-Backbone interact. energy: -1.253
local terms energy: -125.627105
where:
bonds (distance) C4'-P energy: -37.552
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -30.692
flat angles P-C4'-P energy: -17.432
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -283.247412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.247412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.247412 (E_RNA)
where:
Base-Base interactions energy: -146.789
where: short stacking energy: -75.589
Base-Backbone interact. energy: -0.092
local terms energy: -136.365761
where:
bonds (distance) C4'-P energy: -38.036
bonds (distance) P-C4' energy: -37.446
flat angles C4'-P-C4' energy: -26.676
flat angles P-C4'-P energy: -26.733
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -261.573829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.573829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.573829 (E_RNA)
where:
Base-Base interactions energy: -126.872
where: short stacking energy: -74.978
Base-Backbone interact. energy: -0.570
local terms energy: -134.131670
where:
bonds (distance) C4'-P energy: -42.340
bonds (distance) P-C4' energy: -31.685
flat angles C4'-P-C4' energy: -37.755
flat angles P-C4'-P energy: -15.940
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: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -185.673288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.673288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.673288 (E_RNA)
where:
Base-Base interactions energy: -66.402
where: short stacking energy: -63.503
Base-Backbone interact. energy: -0.322
local terms energy: -118.949306
where:
bonds (distance) C4'-P energy: -30.576
bonds (distance) P-C4' energy: -32.239
flat angles C4'-P-C4' energy: -32.218
flat angles P-C4'-P energy: -23.106
tors. eta vs tors. theta energy: -0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -662.258579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.258579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.258579 (E_RNA)
where:
Base-Base interactions energy: -435.679
where: short stacking energy: -210.392
Base-Backbone interact. energy: -0.188
local terms energy: -226.391741
where:
bonds (distance) C4'-P energy: -39.849
bonds (distance) P-C4' energy: -45.672
flat angles C4'-P-C4' energy: -48.053
flat angles P-C4'-P energy: -32.741
tors. eta vs tors. theta energy: -60.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -614.408957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.408957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.408957 (E_RNA)
where:
Base-Base interactions energy: -410.412
where: short stacking energy: -167.744
Base-Backbone interact. energy: -0.550
local terms energy: -203.447106
where:
bonds (distance) C4'-P energy: -41.984
bonds (distance) P-C4' energy: -45.288
flat angles C4'-P-C4' energy: -44.460
flat angles P-C4'-P energy: -21.023
tors. eta vs tors. theta energy: -50.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -598.638053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.638053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.638053 (E_RNA)
where:
Base-Base interactions energy: -376.456
where: short stacking energy: -176.472
Base-Backbone interact. energy: -1.019
local terms energy: -221.163320
where:
bonds (distance) C4'-P energy: -45.501
bonds (distance) P-C4' energy: -45.990
flat angles C4'-P-C4' energy: -48.599
flat angles P-C4'-P energy: -31.503
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: 4, replica: 8
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -583.617028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.617028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.617028 (E_RNA)
where:
Base-Base interactions energy: -368.822
where: short stacking energy: -170.906
Base-Backbone interact. energy: -0.393
local terms energy: -214.401797
where:
bonds (distance) C4'-P energy: -40.432
bonds (distance) P-C4' energy: -43.370
flat angles C4'-P-C4' energy: -43.664
flat angles P-C4'-P energy: -35.177
tors. eta vs tors. theta energy: -51.759
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: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -473.985939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.985939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.985939 (E_RNA)
where:
Base-Base interactions energy: -290.890
where: short stacking energy: -155.716
Base-Backbone interact. energy: -0.280
local terms energy: -182.815976
where:
bonds (distance) C4'-P energy: -32.146
bonds (distance) P-C4' energy: -41.861
flat angles C4'-P-C4' energy: -44.163
flat angles P-C4'-P energy: -27.383
tors. eta vs tors. theta energy: -37.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -386.108079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.108079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.108079 (E_RNA)
where:
Base-Base interactions energy: -218.169
where: short stacking energy: -116.802
Base-Backbone interact. energy: -1.424
local terms energy: -166.515369
where:
bonds (distance) C4'-P energy: -36.222
bonds (distance) P-C4' energy: -38.231
flat angles C4'-P-C4' energy: -41.536
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -27.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -297.558219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.558219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.558219 (E_RNA)
where:
Base-Base interactions energy: -132.321
where: short stacking energy: -78.180
Base-Backbone interact. energy: -1.045
local terms energy: -164.191623
where:
bonds (distance) C4'-P energy: -39.048
bonds (distance) P-C4' energy: -38.659
flat angles C4'-P-C4' energy: -47.243
flat angles P-C4'-P energy: -29.419
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: 8, replica: 6
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -215.816087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.816087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.816087 (E_RNA)
where:
Base-Base interactions energy: -75.620
where: short stacking energy: -74.488
Base-Backbone interact. energy: -0.347
local terms energy: -139.849364
where:
bonds (distance) C4'-P energy: -37.064
bonds (distance) P-C4' energy: -41.341
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -269.661018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.661018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.661018 (E_RNA)
where:
Base-Base interactions energy: -126.312
where: short stacking energy: -75.805
Base-Backbone interact. energy: 0.200
local terms energy: -143.549036
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -45.126
flat angles C4'-P-C4' energy: -44.321
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: -1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -169.302348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.302348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.302348 (E_RNA)
where:
Base-Base interactions energy: -49.594
where: short stacking energy: -26.858
Base-Backbone interact. energy: -0.289
local terms energy: -119.419786
where:
bonds (distance) C4'-P energy: -30.787
bonds (distance) P-C4' energy: -40.883
flat angles C4'-P-C4' energy: -29.914
flat angles P-C4'-P energy: -28.695
tors. eta vs tors. theta energy: 10.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -670.672010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.672010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.672010 (E_RNA)
where:
Base-Base interactions energy: -436.783
where: short stacking energy: -212.383
Base-Backbone interact. energy: 1.323
local terms energy: -235.212028
where:
bonds (distance) C4'-P energy: -38.246
bonds (distance) P-C4' energy: -44.838
flat angles C4'-P-C4' energy: -50.174
flat angles P-C4'-P energy: -35.406
tors. eta vs tors. theta energy: -66.547
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: 385
Temperature: 0.950000
Total energy: -628.262697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.262697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.262697 (E_RNA)
where:
Base-Base interactions energy: -422.813
where: short stacking energy: -173.659
Base-Backbone interact. energy: -0.999
local terms energy: -204.450646
where:
bonds (distance) C4'-P energy: -38.155
bonds (distance) P-C4' energy: -38.679
flat angles C4'-P-C4' energy: -47.146
flat angles P-C4'-P energy: -35.402
tors. eta vs tors. theta energy: -45.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -573.751989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.751989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.751989 (E_RNA)
where:
Base-Base interactions energy: -370.391
where: short stacking energy: -168.555
Base-Backbone interact. energy: 1.712
local terms energy: -205.073011
where:
bonds (distance) C4'-P energy: -46.095
bonds (distance) P-C4' energy: -37.289
flat angles C4'-P-C4' energy: -41.130
flat angles P-C4'-P energy: -31.513
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: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -583.945358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.945358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.945358 (E_RNA)
where:
Base-Base interactions energy: -399.531
where: short stacking energy: -190.667
Base-Backbone interact. energy: 0.532
local terms energy: -184.945876
where:
bonds (distance) C4'-P energy: -39.948
bonds (distance) P-C4' energy: -35.230
flat angles C4'-P-C4' energy: -42.014
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -51.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -470.819007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.819007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.819007 (E_RNA)
where:
Base-Base interactions energy: -265.162
where: short stacking energy: -138.942
Base-Backbone interact. energy: -0.322
local terms energy: -205.334210
where:
bonds (distance) C4'-P energy: -40.431
bonds (distance) P-C4' energy: -42.271
flat angles C4'-P-C4' energy: -46.927
flat angles P-C4'-P energy: -29.134
tors. eta vs tors. theta energy: -46.572
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: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -361.041370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.041370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.041370 (E_RNA)
where:
Base-Base interactions energy: -200.158
where: short stacking energy: -94.576
Base-Backbone interact. energy: -1.030
local terms energy: -159.853741
where:
bonds (distance) C4'-P energy: -37.465
bonds (distance) P-C4' energy: -40.116
flat angles C4'-P-C4' energy: -38.795
flat angles P-C4'-P energy: -28.114
tors. eta vs tors. theta energy: -15.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -333.400120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.400120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.400120 (E_RNA)
where:
Base-Base interactions energy: -165.900
where: short stacking energy: -96.729
Base-Backbone interact. energy: -0.257
local terms energy: -167.242878
where:
bonds (distance) C4'-P energy: -35.858
bonds (distance) P-C4' energy: -44.944
flat angles C4'-P-C4' energy: -43.781
flat angles P-C4'-P energy: -21.760
tors. eta vs tors. theta energy: -20.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -337.518393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.518393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.518393 (E_RNA)
where:
Base-Base interactions energy: -194.699
where: short stacking energy: -104.126
Base-Backbone interact. energy: -0.434
local terms energy: -142.385066
where:
bonds (distance) C4'-P energy: -33.224
bonds (distance) P-C4' energy: -39.581
flat angles C4'-P-C4' energy: -37.163
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -19.323
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: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -216.973433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.973433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.973433 (E_RNA)
where:
Base-Base interactions energy: -91.275
where: short stacking energy: -55.939
Base-Backbone interact. energy: 0.276
local terms energy: -125.974764
where:
bonds (distance) C4'-P energy: -40.872
bonds (distance) P-C4' energy: -35.813
flat angles C4'-P-C4' energy: -28.418
flat angles P-C4'-P energy: -26.088
tors. eta vs tors. theta energy: 5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -199.672572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.672572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.672572 (E_RNA)
where:
Base-Base interactions energy: -61.141
where: short stacking energy: -49.993
Base-Backbone interact. energy: -0.638
local terms energy: -137.893076
where:
bonds (distance) C4'-P energy: -31.083
bonds (distance) P-C4' energy: -44.922
flat angles C4'-P-C4' energy: -38.629
flat angles P-C4'-P energy: -24.986
tors. eta vs tors. theta energy: 1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -678.218253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.218253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.218253 (E_RNA)
where:
Base-Base interactions energy: -437.826
where: short stacking energy: -214.766
Base-Backbone interact. energy: -1.109
local terms energy: -239.283555
where:
bonds (distance) C4'-P energy: -47.727
bonds (distance) P-C4' energy: -39.062
flat angles C4'-P-C4' energy: -50.153
flat angles P-C4'-P energy: -33.886
tors. eta vs tors. theta energy: -68.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -653.320218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.320218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.320218 (E_RNA)
where:
Base-Base interactions energy: -441.879
where: short stacking energy: -182.515
Base-Backbone interact. energy: -0.920
local terms energy: -210.522066
where:
bonds (distance) C4'-P energy: -43.547
bonds (distance) P-C4' energy: -40.584
flat angles C4'-P-C4' energy: -41.077
flat angles P-C4'-P energy: -34.735
tors. eta vs tors. theta energy: -50.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -612.266413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.266413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.266413 (E_RNA)
where:
Base-Base interactions energy: -400.739
where: short stacking energy: -188.460
Base-Backbone interact. energy: -0.343
local terms energy: -211.184501
where:
bonds (distance) C4'-P energy: -48.415
bonds (distance) P-C4' energy: -39.383
flat angles C4'-P-C4' energy: -45.935
flat angles P-C4'-P energy: -21.051
tors. eta vs tors. theta energy: -56.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -548.780624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.780624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.780624 (E_RNA)
where:
Base-Base interactions energy: -369.591
where: short stacking energy: -163.199
Base-Backbone interact. energy: -0.338
local terms energy: -178.851927
where:
bonds (distance) C4'-P energy: -38.445
bonds (distance) P-C4' energy: -37.109
flat angles C4'-P-C4' energy: -34.072
flat angles P-C4'-P energy: -23.816
tors. eta vs tors. theta energy: -45.410
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: 10
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -471.514537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.514537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.514537 (E_RNA)
where:
Base-Base interactions energy: -274.472
where: short stacking energy: -132.357
Base-Backbone interact. energy: -0.758
local terms energy: -196.284645
where:
bonds (distance) C4'-P energy: -45.792
bonds (distance) P-C4' energy: -43.654
flat angles C4'-P-C4' energy: -38.098
flat angles P-C4'-P energy: -32.565
tors. eta vs tors. theta energy: -36.176
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: 4
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -407.186636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.186636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.186636 (E_RNA)
where:
Base-Base interactions energy: -219.696
where: short stacking energy: -110.992
Base-Backbone interact. energy: 0.543
local terms energy: -188.033527
where:
bonds (distance) C4'-P energy: -38.508
bonds (distance) P-C4' energy: -46.899
flat angles C4'-P-C4' energy: -43.664
flat angles P-C4'-P energy: -28.283
tors. eta vs tors. theta energy: -30.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -360.232414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.232414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.232414 (E_RNA)
where:
Base-Base interactions energy: -198.266
where: short stacking energy: -92.781
Base-Backbone interact. energy: 0.116
local terms energy: -162.082242
where:
bonds (distance) C4'-P energy: -38.246
bonds (distance) P-C4' energy: -43.879
flat angles C4'-P-C4' energy: -31.295
flat angles P-C4'-P energy: -21.658
tors. eta vs tors. theta energy: -27.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -303.312388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.312388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.312388 (E_RNA)
where:
Base-Base interactions energy: -155.814
where: short stacking energy: -94.216
Base-Backbone interact. energy: -0.419
local terms energy: -147.080000
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -41.263
flat angles C4'-P-C4' energy: -40.521
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -20.015
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: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -254.759157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.759157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.759157 (E_RNA)
where:
Base-Base interactions energy: -111.419
where: short stacking energy: -64.562
Base-Backbone interact. energy: -0.297
local terms energy: -143.043968
where:
bonds (distance) C4'-P energy: -29.109
bonds (distance) P-C4' energy: -40.340
flat angles C4'-P-C4' energy: -36.010
flat angles P-C4'-P energy: -24.825
tors. eta vs tors. theta energy: -12.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -196.851610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.851610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.851610 (E_RNA)
where:
Base-Base interactions energy: -72.406
where: short stacking energy: -59.135
Base-Backbone interact. energy: -0.944
local terms energy: -123.501889
where:
bonds (distance) C4'-P energy: -36.627
bonds (distance) P-C4' energy: -40.530
flat angles C4'-P-C4' energy: -28.038
flat angles P-C4'-P energy: -18.159
tors. eta vs tors. theta energy: -0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -685.334536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.334536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.334536 (E_RNA)
where:
Base-Base interactions energy: -452.681
where: short stacking energy: -228.253
Base-Backbone interact. energy: -0.745
local terms energy: -231.908159
where:
bonds (distance) C4'-P energy: -40.792
bonds (distance) P-C4' energy: -40.246
flat angles C4'-P-C4' energy: -47.233
flat angles P-C4'-P energy: -36.329
tors. eta vs tors. theta energy: -67.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -615.052242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.052242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.052242 (E_RNA)
where:
Base-Base interactions energy: -386.616
where: short stacking energy: -187.131
Base-Backbone interact. energy: -0.617
local terms energy: -227.819619
where:
bonds (distance) C4'-P energy: -42.035
bonds (distance) P-C4' energy: -47.184
flat angles C4'-P-C4' energy: -50.275
flat angles P-C4'-P energy: -29.567
tors. eta vs tors. theta energy: -58.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -609.335611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.335611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.335611 (E_RNA)
where:
Base-Base interactions energy: -417.826
where: short stacking energy: -174.941
Base-Backbone interact. energy: 0.092
local terms energy: -191.602063
where:
bonds (distance) C4'-P energy: -40.910
bonds (distance) P-C4' energy: -43.278
flat angles C4'-P-C4' energy: -35.495
flat angles P-C4'-P energy: -27.550
tors. eta vs tors. theta energy: -44.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -549.569930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.569930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.569930 (E_RNA)
where:
Base-Base interactions energy: -365.660
where: short stacking energy: -159.013
Base-Backbone interact. energy: 0.868
local terms energy: -184.777290
where:
bonds (distance) C4'-P energy: -35.323
bonds (distance) P-C4' energy: -36.157
flat angles C4'-P-C4' energy: -37.457
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: -44.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -471.083861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.083861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.083861 (E_RNA)
where:
Base-Base interactions energy: -293.675
where: short stacking energy: -146.126
Base-Backbone interact. energy: 1.499
local terms energy: -178.907431
where:
bonds (distance) C4'-P energy: -37.475
bonds (distance) P-C4' energy: -35.080
flat angles C4'-P-C4' energy: -43.828
flat angles P-C4'-P energy: -24.156
tors. eta vs tors. theta energy: -38.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -395.176724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.176724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.176724 (E_RNA)
where:
Base-Base interactions energy: -232.015
where: short stacking energy: -118.089
Base-Backbone interact. energy: -1.569
local terms energy: -161.592875
where:
bonds (distance) C4'-P energy: -41.204
bonds (distance) P-C4' energy: -36.252
flat angles C4'-P-C4' energy: -39.646
flat angles P-C4'-P energy: -27.870
tors. eta vs tors. theta energy: -16.621
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: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -301.858465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.858465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.858465 (E_RNA)
where:
Base-Base interactions energy: -145.782
where: short stacking energy: -93.599
Base-Backbone interact. energy: 0.214
local terms energy: -156.290306
where:
bonds (distance) C4'-P energy: -31.310
bonds (distance) P-C4' energy: -40.525
flat angles C4'-P-C4' energy: -40.107
flat angles P-C4'-P energy: -33.551
tors. eta vs tors. theta energy: -10.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -275.147806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.147806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.147806 (E_RNA)
where:
Base-Base interactions energy: -127.354
where: short stacking energy: -91.808
Base-Backbone interact. energy: -1.453
local terms energy: -146.341071
where:
bonds (distance) C4'-P energy: -34.457
bonds (distance) P-C4' energy: -41.956
flat angles C4'-P-C4' energy: -29.379
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -271.625603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.625603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.625603 (E_RNA)
where:
Base-Base interactions energy: -132.127
where: short stacking energy: -79.875
Base-Backbone interact. energy: -0.280
local terms energy: -139.218189
where:
bonds (distance) C4'-P energy: -39.232
bonds (distance) P-C4' energy: -33.540
flat angles C4'-P-C4' energy: -29.858
flat angles P-C4'-P energy: -25.294
tors. eta vs tors. theta energy: -11.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -187.568780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.568780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.568780 (E_RNA)
where:
Base-Base interactions energy: -66.362
where: short stacking energy: -60.253
Base-Backbone interact. energy: -1.062
local terms energy: -120.145205
where:
bonds (distance) C4'-P energy: -35.096
bonds (distance) P-C4' energy: -34.001
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -7.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -682.219878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.219878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.219878 (E_RNA)
where:
Base-Base interactions energy: -454.493
where: short stacking energy: -227.482
Base-Backbone interact. energy: 0.226
local terms energy: -227.952571
where:
bonds (distance) C4'-P energy: -40.885
bonds (distance) P-C4' energy: -40.410
flat angles C4'-P-C4' energy: -49.878
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: -63.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -623.934861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.934861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.934861 (E_RNA)
where:
Base-Base interactions energy: -408.077
where: short stacking energy: -194.436
Base-Backbone interact. energy: -0.191
local terms energy: -215.666115
where:
bonds (distance) C4'-P energy: -45.024
bonds (distance) P-C4' energy: -38.212
flat angles C4'-P-C4' energy: -46.616
flat angles P-C4'-P energy: -30.878
tors. eta vs tors. theta energy: -54.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -607.930110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.930110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.930110 (E_RNA)
where:
Base-Base interactions energy: -404.890
where: short stacking energy: -175.680
Base-Backbone interact. energy: -1.047
local terms energy: -201.993876
where:
bonds (distance) C4'-P energy: -36.505
bonds (distance) P-C4' energy: -44.308
flat angles C4'-P-C4' energy: -43.864
flat angles P-C4'-P energy: -28.560
tors. eta vs tors. theta energy: -48.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -531.798987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.798987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.798987 (E_RNA)
where:
Base-Base interactions energy: -342.714
where: short stacking energy: -147.444
Base-Backbone interact. energy: 0.900
local terms energy: -189.984770
where:
bonds (distance) C4'-P energy: -44.537
bonds (distance) P-C4' energy: -45.592
flat angles C4'-P-C4' energy: -42.582
flat angles P-C4'-P energy: -20.191
tors. eta vs tors. theta energy: -37.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -485.716140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.716140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.716140 (E_RNA)
where:
Base-Base interactions energy: -291.969
where: short stacking energy: -153.713
Base-Backbone interact. energy: -0.268
local terms energy: -193.479086
where:
bonds (distance) C4'-P energy: -40.627
bonds (distance) P-C4' energy: -37.587
flat angles C4'-P-C4' energy: -37.724
flat angles P-C4'-P energy: -35.402
tors. eta vs tors. theta energy: -42.139
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: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -399.913683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.913683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.913683 (E_RNA)
where:
Base-Base interactions energy: -236.700
where: short stacking energy: -108.925
Base-Backbone interact. energy: 0.033
local terms energy: -163.246846
where:
bonds (distance) C4'-P energy: -43.281
bonds (distance) P-C4' energy: -30.753
flat angles C4'-P-C4' energy: -40.170
flat angles P-C4'-P energy: -35.099
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -294.873122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.873122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.873122 (E_RNA)
where:
Base-Base interactions energy: -150.167
where: short stacking energy: -92.612
Base-Backbone interact. energy: -0.662
local terms energy: -144.044484
where:
bonds (distance) C4'-P energy: -30.861
bonds (distance) P-C4' energy: -38.899
flat angles C4'-P-C4' energy: -38.915
flat angles P-C4'-P energy: -20.663
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -246.870754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.870754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.870754 (E_RNA)
where:
Base-Base interactions energy: -120.549
where: short stacking energy: -74.098
Base-Backbone interact. energy: -0.400
local terms energy: -125.921963
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -38.787
flat angles C4'-P-C4' energy: -35.525
flat angles P-C4'-P energy: -16.771
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: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -287.667202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.667202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.667202 (E_RNA)
where:
Base-Base interactions energy: -161.317
where: short stacking energy: -73.157
Base-Backbone interact. energy: 1.910
local terms energy: -128.260297
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -29.191
flat angles C4'-P-C4' energy: -33.367
flat angles P-C4'-P energy: -21.632
tors. eta vs tors. theta energy: -6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -187.162818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.162818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.162818 (E_RNA)
where:
Base-Base interactions energy: -48.757
where: short stacking energy: -45.938
Base-Backbone interact. energy: -0.489
local terms energy: -137.917557
where:
bonds (distance) C4'-P energy: -33.195
bonds (distance) P-C4' energy: -49.968
flat angles C4'-P-C4' energy: -27.359
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -6.850
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: 5
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -654.022400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.022400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.022400 (E_RNA)
where:
Base-Base interactions energy: -419.554
where: short stacking energy: -213.253
Base-Backbone interact. energy: 0.809
local terms energy: -235.277349
where:
bonds (distance) C4'-P energy: -46.688
bonds (distance) P-C4' energy: -44.253
flat angles C4'-P-C4' energy: -47.746
flat angles P-C4'-P energy: -33.507
tors. eta vs tors. theta energy: -63.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -614.880376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.880376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.880376 (E_RNA)
where:
Base-Base interactions energy: -409.568
where: short stacking energy: -177.760
Base-Backbone interact. energy: -1.010
local terms energy: -204.301757
where:
bonds (distance) C4'-P energy: -44.082
bonds (distance) P-C4' energy: -40.635
flat angles C4'-P-C4' energy: -41.611
flat angles P-C4'-P energy: -31.216
tors. eta vs tors. theta energy: -46.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -607.208045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.208045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.208045 (E_RNA)
where:
Base-Base interactions energy: -396.396
where: short stacking energy: -198.348
Base-Backbone interact. energy: 0.297
local terms energy: -211.108664
where:
bonds (distance) C4'-P energy: -44.415
bonds (distance) P-C4' energy: -39.018
flat angles C4'-P-C4' energy: -43.263
flat angles P-C4'-P energy: -26.917
tors. eta vs tors. theta energy: -57.495
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: 4, replica: 7
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -550.740169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.740169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.740169 (E_RNA)
where:
Base-Base interactions energy: -358.732
where: short stacking energy: -133.078
Base-Backbone interact. energy: -1.194
local terms energy: -190.814159
where:
bonds (distance) C4'-P energy: -41.921
bonds (distance) P-C4' energy: -45.436
flat angles C4'-P-C4' energy: -43.252
flat angles P-C4'-P energy: -28.586
tors. eta vs tors. theta energy: -31.619
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: 389
Temperature: 1.100000
Total energy: -481.539179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.539179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.539179 (E_RNA)
where:
Base-Base interactions energy: -289.277
where: short stacking energy: -135.647
Base-Backbone interact. energy: 0.111
local terms energy: -192.373338
where:
bonds (distance) C4'-P energy: -46.879
bonds (distance) P-C4' energy: -39.742
flat angles C4'-P-C4' energy: -34.493
flat angles P-C4'-P energy: -31.740
tors. eta vs tors. theta energy: -39.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -418.776641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.776641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.776641 (E_RNA)
where:
Base-Base interactions energy: -253.079
where: short stacking energy: -133.657
Base-Backbone interact. energy: -0.556
local terms energy: -165.141778
where:
bonds (distance) C4'-P energy: -33.700
bonds (distance) P-C4' energy: -46.183
flat angles C4'-P-C4' energy: -31.985
flat angles P-C4'-P energy: -19.188
tors. eta vs tors. theta energy: -34.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -299.271083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.271083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.271083 (E_RNA)
where:
Base-Base interactions energy: -149.467
where: short stacking energy: -84.771
Base-Backbone interact. energy: -0.103
local terms energy: -149.700955
where:
bonds (distance) C4'-P energy: -32.437
bonds (distance) P-C4' energy: -42.988
flat angles C4'-P-C4' energy: -26.735
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -22.751
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: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -279.878972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.878972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.878972 (E_RNA)
where:
Base-Base interactions energy: -134.479
where: short stacking energy: -62.203
Base-Backbone interact. energy: 1.732
local terms energy: -147.131707
where:
bonds (distance) C4'-P energy: -35.940
bonds (distance) P-C4' energy: -46.084
flat angles C4'-P-C4' energy: -42.938
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -283.524723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.524723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.524723 (E_RNA)
where:
Base-Base interactions energy: -160.086
where: short stacking energy: -87.647
Base-Backbone interact. energy: 4.729
local terms energy: -128.167760
where:
bonds (distance) C4'-P energy: -35.452
bonds (distance) P-C4' energy: -33.982
flat angles C4'-P-C4' energy: -30.668
flat angles P-C4'-P energy: -17.927
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -180.938532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.938532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.938532 (E_RNA)
where:
Base-Base interactions energy: -49.320
where: short stacking energy: -47.589
Base-Backbone interact. energy: -0.056
local terms energy: -131.562627
where:
bonds (distance) C4'-P energy: -36.955
bonds (distance) P-C4' energy: -48.481
flat angles C4'-P-C4' energy: -28.244
flat angles P-C4'-P energy: -17.012
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -651.402871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.402871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.402871 (E_RNA)
where:
Base-Base interactions energy: -423.574
where: short stacking energy: -209.746
Base-Backbone interact. energy: 0.261
local terms energy: -228.089469
where:
bonds (distance) C4'-P energy: -43.985
bonds (distance) P-C4' energy: -44.381
flat angles C4'-P-C4' energy: -45.891
flat angles P-C4'-P energy: -27.412
tors. eta vs tors. theta energy: -66.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -608.611375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.611375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.611375 (E_RNA)
where:
Base-Base interactions energy: -406.750
where: short stacking energy: -175.581
Base-Backbone interact. energy: -0.731
local terms energy: -201.130200
where:
bonds (distance) C4'-P energy: -36.939
bonds (distance) P-C4' energy: -42.772
flat angles C4'-P-C4' energy: -43.133
flat angles P-C4'-P energy: -32.741
tors. eta vs tors. theta energy: -45.545
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: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -587.261198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.261198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.261198 (E_RNA)
where:
Base-Base interactions energy: -386.528
where: short stacking energy: -174.418
Base-Backbone interact. energy: -0.774
local terms energy: -199.959721
where:
bonds (distance) C4'-P energy: -40.727
bonds (distance) P-C4' energy: -40.192
flat angles C4'-P-C4' energy: -40.064
flat angles P-C4'-P energy: -29.933
tors. eta vs tors. theta energy: -49.043
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: 7
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -539.823374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.823374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.823374 (E_RNA)
where:
Base-Base interactions energy: -358.529
where: short stacking energy: -150.018
Base-Backbone interact. energy: -0.402
local terms energy: -180.892197
where:
bonds (distance) C4'-P energy: -40.290
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -39.522
flat angles P-C4'-P energy: -23.044
tors. eta vs tors. theta energy: -36.529
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: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -492.201692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.201692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.201692 (E_RNA)
where:
Base-Base interactions energy: -297.649
where: short stacking energy: -155.905
Base-Backbone interact. energy: -0.423
local terms energy: -194.129304
where:
bonds (distance) C4'-P energy: -35.064
bonds (distance) P-C4' energy: -47.547
flat angles C4'-P-C4' energy: -43.175
flat angles P-C4'-P energy: -26.049
tors. eta vs tors. theta energy: -42.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -388.495933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.495933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.495933 (E_RNA)
where:
Base-Base interactions energy: -240.810
where: short stacking energy: -108.331
Base-Backbone interact. energy: 0.427
local terms energy: -148.113029
where:
bonds (distance) C4'-P energy: -40.661
bonds (distance) P-C4' energy: -31.507
flat angles C4'-P-C4' energy: -32.838
flat angles P-C4'-P energy: -24.568
tors. eta vs tors. theta energy: -18.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -298.698537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.698537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.698537 (E_RNA)
where:
Base-Base interactions energy: -133.417
where: short stacking energy: -79.325
Base-Backbone interact. energy: -0.527
local terms energy: -164.754420
where:
bonds (distance) C4'-P energy: -37.771
bonds (distance) P-C4' energy: -45.378
flat angles C4'-P-C4' energy: -35.166
flat angles P-C4'-P energy: -25.856
tors. eta vs tors. theta energy: -20.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -354.948102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.948102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.948102 (E_RNA)
where:
Base-Base interactions energy: -201.052
where: short stacking energy: -100.247
Base-Backbone interact. energy: -0.224
local terms energy: -153.672378
where:
bonds (distance) C4'-P energy: -34.199
bonds (distance) P-C4' energy: -42.923
flat angles C4'-P-C4' energy: -39.025
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -16.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -255.778576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.778576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.778576 (E_RNA)
where:
Base-Base interactions energy: -129.905
where: short stacking energy: -73.692
Base-Backbone interact. energy: -2.859
local terms energy: -123.014313
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -45.899
flat angles C4'-P-C4' energy: -33.944
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -10.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -185.067707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.067707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.067707 (E_RNA)
where:
Base-Base interactions energy: -52.990
where: short stacking energy: -51.021
Base-Backbone interact. energy: -0.659
local terms energy: -131.418407
where:
bonds (distance) C4'-P energy: -44.760
bonds (distance) P-C4' energy: -37.426
flat angles C4'-P-C4' energy: -36.183
flat angles P-C4'-P energy: -19.515
tors. eta vs tors. theta energy: 6.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -641.787357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.787357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.787357 (E_RNA)
where:
Base-Base interactions energy: -421.418
where: short stacking energy: -202.718
Base-Backbone interact. energy: -0.673
local terms energy: -219.696961
where:
bonds (distance) C4'-P energy: -47.592
bonds (distance) P-C4' energy: -39.950
flat angles C4'-P-C4' energy: -45.653
flat angles P-C4'-P energy: -27.889
tors. eta vs tors. theta energy: -58.613
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: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -630.827219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.827219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.827219 (E_RNA)
where:
Base-Base interactions energy: -411.976
where: short stacking energy: -183.592
Base-Backbone interact. energy: -0.267
local terms energy: -218.584505
where:
bonds (distance) C4'-P energy: -38.126
bonds (distance) P-C4' energy: -48.513
flat angles C4'-P-C4' energy: -45.901
flat angles P-C4'-P energy: -35.343
tors. eta vs tors. theta energy: -50.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -596.815622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.815622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.815622 (E_RNA)
where:
Base-Base interactions energy: -372.753
where: short stacking energy: -181.971
Base-Backbone interact. energy: -0.626
local terms energy: -223.437128
where:
bonds (distance) C4'-P energy: -38.508
bonds (distance) P-C4' energy: -49.145
flat angles C4'-P-C4' energy: -42.504
flat angles P-C4'-P energy: -36.994
tors. eta vs tors. theta energy: -56.285
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: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -537.794541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.794541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.794541 (E_RNA)
where:
Base-Base interactions energy: -343.195
where: short stacking energy: -145.156
Base-Backbone interact. energy: 0.493
local terms energy: -195.091889
where:
bonds (distance) C4'-P energy: -41.480
bonds (distance) P-C4' energy: -39.691
flat angles C4'-P-C4' energy: -46.398
flat angles P-C4'-P energy: -30.780
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: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -500.425254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.425254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.425254 (E_RNA)
where:
Base-Base interactions energy: -306.073
where: short stacking energy: -167.760
Base-Backbone interact. energy: -1.524
local terms energy: -192.828131
where:
bonds (distance) C4'-P energy: -36.610
bonds (distance) P-C4' energy: -30.482
flat angles C4'-P-C4' energy: -48.046
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -50.406
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: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -417.895825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.895825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.895825 (E_RNA)
where:
Base-Base interactions energy: -259.670
where: short stacking energy: -108.203
Base-Backbone interact. energy: -0.373
local terms energy: -157.852690
where:
bonds (distance) C4'-P energy: -35.996
bonds (distance) P-C4' energy: -35.352
flat angles C4'-P-C4' energy: -43.229
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -24.050
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: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -298.499297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.499297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.499297 (E_RNA)
where:
Base-Base interactions energy: -148.905
where: short stacking energy: -86.949
Base-Backbone interact. energy: 0.418
local terms energy: -150.012405
where:
bonds (distance) C4'-P energy: -38.682
bonds (distance) P-C4' energy: -41.071
flat angles C4'-P-C4' energy: -38.714
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -9.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -358.914389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.914389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.914389 (E_RNA)
where:
Base-Base interactions energy: -195.189
where: short stacking energy: -104.735
Base-Backbone interact. energy: -0.104
local terms energy: -163.621390
where:
bonds (distance) C4'-P energy: -38.375
bonds (distance) P-C4' energy: -42.434
flat angles C4'-P-C4' energy: -39.114
flat angles P-C4'-P energy: -22.730
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -279.701329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.701329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.701329 (E_RNA)
where:
Base-Base interactions energy: -147.976
where: short stacking energy: -79.522
Base-Backbone interact. energy: -0.408
local terms energy: -131.317249
where:
bonds (distance) C4'-P energy: -32.742
bonds (distance) P-C4' energy: -32.197
flat angles C4'-P-C4' energy: -34.871
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -8.519
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: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -177.437535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.437535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.437535 (E_RNA)
where:
Base-Base interactions energy: -64.157
where: short stacking energy: -48.580
Base-Backbone interact. energy: -0.316
local terms energy: -112.965050
where:
bonds (distance) C4'-P energy: -36.117
bonds (distance) P-C4' energy: -34.146
flat angles C4'-P-C4' energy: -24.900
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -2.910
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: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -625.235286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.235286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.235286 (E_RNA)
where:
Base-Base interactions energy: -406.016
where: short stacking energy: -194.862
Base-Backbone interact. energy: 0.083
local terms energy: -219.302636
where:
bonds (distance) C4'-P energy: -45.718
bonds (distance) P-C4' energy: -49.262
flat angles C4'-P-C4' energy: -45.268
flat angles P-C4'-P energy: -28.308
tors. eta vs tors. theta energy: -50.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -617.442022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.442022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.442022 (E_RNA)
where:
Base-Base interactions energy: -391.615
where: short stacking energy: -190.554
Base-Backbone interact. energy: -0.419
local terms energy: -225.408543
where:
bonds (distance) C4'-P energy: -38.433
bonds (distance) P-C4' energy: -45.007
flat angles C4'-P-C4' energy: -48.207
flat angles P-C4'-P energy: -37.869
tors. eta vs tors. theta energy: -55.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -599.590127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.590127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.590127 (E_RNA)
where:
Base-Base interactions energy: -392.902
where: short stacking energy: -211.634
Base-Backbone interact. energy: -0.021
local terms energy: -206.666716
where:
bonds (distance) C4'-P energy: -27.079
bonds (distance) P-C4' energy: -42.629
flat angles C4'-P-C4' energy: -48.487
flat angles P-C4'-P energy: -25.732
tors. eta vs tors. theta energy: -62.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -539.496168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.496168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.496168 (E_RNA)
where:
Base-Base interactions energy: -337.431
where: short stacking energy: -141.180
Base-Backbone interact. energy: -1.121
local terms energy: -200.943750
where:
bonds (distance) C4'-P energy: -44.570
bonds (distance) P-C4' energy: -45.946
flat angles C4'-P-C4' energy: -47.048
flat angles P-C4'-P energy: -28.480
tors. eta vs tors. theta energy: -34.901
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: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -484.677584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.677584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.677584 (E_RNA)
where:
Base-Base interactions energy: -289.703
where: short stacking energy: -143.078
Base-Backbone interact. energy: 0.191
local terms energy: -195.165229
where:
bonds (distance) C4'-P energy: -41.104
bonds (distance) P-C4' energy: -38.175
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -31.529
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: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -431.754158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.754158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.754158 (E_RNA)
where:
Base-Base interactions energy: -271.156
where: short stacking energy: -115.284
Base-Backbone interact. energy: 1.651
local terms energy: -162.249542
where:
bonds (distance) C4'-P energy: -29.723
bonds (distance) P-C4' energy: -40.673
flat angles C4'-P-C4' energy: -38.047
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: -27.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -384.857477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.857477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.857477 (E_RNA)
where:
Base-Base interactions energy: -226.288
where: short stacking energy: -121.752
Base-Backbone interact. energy: 1.351
local terms energy: -159.920422
where:
bonds (distance) C4'-P energy: -40.246
bonds (distance) P-C4' energy: -34.586
flat angles C4'-P-C4' energy: -40.587
flat angles P-C4'-P energy: -21.684
tors. eta vs tors. theta energy: -22.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -280.357584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.357584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.357584 (E_RNA)
where:
Base-Base interactions energy: -145.933
where: short stacking energy: -85.168
Base-Backbone interact. energy: -0.963
local terms energy: -133.462094
where:
bonds (distance) C4'-P energy: -30.649
bonds (distance) P-C4' energy: -33.575
flat angles C4'-P-C4' energy: -33.182
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -11.867
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: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -258.602005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.602005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.602005 (E_RNA)
where:
Base-Base interactions energy: -130.909
where: short stacking energy: -71.338
Base-Backbone interact. energy: 1.330
local terms energy: -129.023420
where:
bonds (distance) C4'-P energy: -42.371
bonds (distance) P-C4' energy: -39.913
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -6.420
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: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -218.944939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.944939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.944939 (E_RNA)
where:
Base-Base interactions energy: -95.478
where: short stacking energy: -63.950
Base-Backbone interact. energy: -0.342
local terms energy: -123.124845
where:
bonds (distance) C4'-P energy: -36.526
bonds (distance) P-C4' energy: -43.736
flat angles C4'-P-C4' energy: -34.849
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: 1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -634.374104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.374104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.374104 (E_RNA)
where:
Base-Base interactions energy: -413.016
where: short stacking energy: -184.809
Base-Backbone interact. energy: 0.476
local terms energy: -221.834209
where:
bonds (distance) C4'-P energy: -41.863
bonds (distance) P-C4' energy: -44.859
flat angles C4'-P-C4' energy: -44.940
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: -53.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -653.307682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.307682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.307682 (E_RNA)
where:
Base-Base interactions energy: -419.260
where: short stacking energy: -197.877
Base-Backbone interact. energy: -0.617
local terms energy: -233.430387
where:
bonds (distance) C4'-P energy: -39.686
bonds (distance) P-C4' energy: -46.979
flat angles C4'-P-C4' energy: -46.965
flat angles P-C4'-P energy: -36.393
tors. eta vs tors. theta energy: -63.407
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: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -576.258826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.258826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.258826 (E_RNA)
where:
Base-Base interactions energy: -384.619
where: short stacking energy: -179.728
Base-Backbone interact. energy: -0.130
local terms energy: -191.510201
where:
bonds (distance) C4'-P energy: -41.164
bonds (distance) P-C4' energy: -31.732
flat angles C4'-P-C4' energy: -44.413
flat angles P-C4'-P energy: -26.941
tors. eta vs tors. theta energy: -47.261
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: 7
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -526.597411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.597411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.597411 (E_RNA)
where:
Base-Base interactions energy: -337.557
where: short stacking energy: -160.322
Base-Backbone interact. energy: -0.810
local terms energy: -188.229921
where:
bonds (distance) C4'-P energy: -33.768
bonds (distance) P-C4' energy: -48.210
flat angles C4'-P-C4' energy: -37.012
flat angles P-C4'-P energy: -28.827
tors. eta vs tors. theta energy: -40.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -484.511446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.511446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.511446 (E_RNA)
where:
Base-Base interactions energy: -296.030
where: short stacking energy: -150.831
Base-Backbone interact. energy: -0.468
local terms energy: -188.013661
where:
bonds (distance) C4'-P energy: -42.718
bonds (distance) P-C4' energy: -36.163
flat angles C4'-P-C4' energy: -44.427
flat angles P-C4'-P energy: -32.695
tors. eta vs tors. theta energy: -32.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -408.344288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.344288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.344288 (E_RNA)
where:
Base-Base interactions energy: -232.634
where: short stacking energy: -123.096
Base-Backbone interact. energy: -0.260
local terms energy: -175.450321
where:
bonds (distance) C4'-P energy: -31.948
bonds (distance) P-C4' energy: -42.172
flat angles C4'-P-C4' energy: -48.490
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -26.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -364.792090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.792090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.792090 (E_RNA)
where:
Base-Base interactions energy: -211.526
where: short stacking energy: -111.109
Base-Backbone interact. energy: -2.379
local terms energy: -150.887227
where:
bonds (distance) C4'-P energy: -41.593
bonds (distance) P-C4' energy: -25.125
flat angles C4'-P-C4' energy: -39.430
flat angles P-C4'-P energy: -25.464
tors. eta vs tors. theta energy: -19.275
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: 8, replica: 6
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -267.607158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.607158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.607158 (E_RNA)
where:
Base-Base interactions energy: -139.840
where: short stacking energy: -84.768
Base-Backbone interact. energy: -0.382
local terms energy: -127.385169
where:
bonds (distance) C4'-P energy: -30.703
bonds (distance) P-C4' energy: -39.921
flat angles C4'-P-C4' energy: -33.261
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -14.154
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: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -258.109547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.109547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.109547 (E_RNA)
where:
Base-Base interactions energy: -128.721
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.812
local terms energy: -128.576212
where:
bonds (distance) C4'-P energy: -35.006
bonds (distance) P-C4' energy: -46.990
flat angles C4'-P-C4' energy: -27.254
flat angles P-C4'-P energy: -17.730
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -168.669795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.669795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.669795 (E_RNA)
where:
Base-Base interactions energy: -60.248
where: short stacking energy: -47.143
Base-Backbone interact. energy: 5.007
local terms energy: -113.429488
where:
bonds (distance) C4'-P energy: -40.030
bonds (distance) P-C4' energy: -34.463
flat angles C4'-P-C4' energy: -31.860
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: 6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -626.447485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.447485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.447485 (E_RNA)
where:
Base-Base interactions energy: -408.943
where: short stacking energy: -178.815
Base-Backbone interact. energy: -1.582
local terms energy: -215.922424
where:
bonds (distance) C4'-P energy: -44.330
bonds (distance) P-C4' energy: -47.900
flat angles C4'-P-C4' energy: -46.239
flat angles P-C4'-P energy: -29.761
tors. eta vs tors. theta energy: -47.692
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: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -663.911959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.911959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.911959 (E_RNA)
where:
Base-Base interactions energy: -433.776
where: short stacking energy: -217.978
Base-Backbone interact. energy: -0.030
local terms energy: -230.106464
where:
bonds (distance) C4'-P energy: -48.307
bonds (distance) P-C4' energy: -40.133
flat angles C4'-P-C4' energy: -48.746
flat angles P-C4'-P energy: -31.313
tors. eta vs tors. theta energy: -61.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -585.123572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.123572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.123572 (E_RNA)
where:
Base-Base interactions energy: -391.291
where: short stacking energy: -178.425
Base-Backbone interact. energy: -1.479
local terms energy: -192.353197
where:
bonds (distance) C4'-P energy: -45.672
bonds (distance) P-C4' energy: -37.315
flat angles C4'-P-C4' energy: -36.186
flat angles P-C4'-P energy: -27.161
tors. eta vs tors. theta energy: -46.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -549.857536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.857536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.857536 (E_RNA)
where:
Base-Base interactions energy: -342.596
where: short stacking energy: -151.927
Base-Backbone interact. energy: 0.694
local terms energy: -207.955934
where:
bonds (distance) C4'-P energy: -39.400
bonds (distance) P-C4' energy: -44.962
flat angles C4'-P-C4' energy: -48.431
flat angles P-C4'-P energy: -32.020
tors. eta vs tors. theta energy: -43.144
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: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -444.390554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.390554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.390554 (E_RNA)
where:
Base-Base interactions energy: -260.318
where: short stacking energy: -126.443
Base-Backbone interact. energy: -0.381
local terms energy: -183.691492
where:
bonds (distance) C4'-P energy: -43.731
bonds (distance) P-C4' energy: -46.053
flat angles C4'-P-C4' energy: -39.468
flat angles P-C4'-P energy: -25.277
tors. eta vs tors. theta energy: -29.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -408.431104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.431104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.431104 (E_RNA)
where:
Base-Base interactions energy: -247.511
where: short stacking energy: -128.640
Base-Backbone interact. energy: 2.572
local terms energy: -163.492778
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -38.950
flat angles C4'-P-C4' energy: -29.249
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -31.304
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: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -352.100389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.100389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.100389 (E_RNA)
where:
Base-Base interactions energy: -217.739
where: short stacking energy: -96.477
Base-Backbone interact. energy: -0.453
local terms energy: -133.908116
where:
bonds (distance) C4'-P energy: -33.735
bonds (distance) P-C4' energy: -41.768
flat angles C4'-P-C4' energy: -32.568
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -295.467715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.467715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.467715 (E_RNA)
where:
Base-Base interactions energy: -165.884
where: short stacking energy: -73.342
Base-Backbone interact. energy: 1.323
local terms energy: -130.906830
where:
bonds (distance) C4'-P energy: -36.830
bonds (distance) P-C4' energy: -36.455
flat angles C4'-P-C4' energy: -40.929
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -275.200636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.200636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.200636 (E_RNA)
where:
Base-Base interactions energy: -144.800
where: short stacking energy: -72.204
Base-Backbone interact. energy: 0.843
local terms energy: -131.242994
where:
bonds (distance) C4'-P energy: -37.486
bonds (distance) P-C4' energy: -35.695
flat angles C4'-P-C4' energy: -39.421
flat angles P-C4'-P energy: -13.957
tors. eta vs tors. theta energy: -4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -177.265884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.265884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.265884 (E_RNA)
where:
Base-Base interactions energy: -63.726
where: short stacking energy: -50.117
Base-Backbone interact. energy: 2.149
local terms energy: -115.688342
where:
bonds (distance) C4'-P energy: -29.872
bonds (distance) P-C4' energy: -33.612
flat angles C4'-P-C4' energy: -35.401
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: 4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -645.541094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.541094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.541094 (E_RNA)
where:
Base-Base interactions energy: -417.142
where: short stacking energy: -197.739
Base-Backbone interact. energy: -0.243
local terms energy: -228.156196
where:
bonds (distance) C4'-P energy: -41.820
bonds (distance) P-C4' energy: -49.374
flat angles C4'-P-C4' energy: -49.395
flat angles P-C4'-P energy: -31.260
tors. eta vs tors. theta energy: -56.306
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: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -643.170598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.170598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.170598 (E_RNA)
where:
Base-Base interactions energy: -415.310
where: short stacking energy: -203.293
Base-Backbone interact. energy: 1.193
local terms energy: -229.053515
where:
bonds (distance) C4'-P energy: -36.045
bonds (distance) P-C4' energy: -48.286
flat angles C4'-P-C4' energy: -53.250
flat angles P-C4'-P energy: -29.607
tors. eta vs tors. theta energy: -61.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -584.733139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.733139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.733139 (E_RNA)
where:
Base-Base interactions energy: -382.968
where: short stacking energy: -184.915
Base-Backbone interact. energy: -0.090
local terms energy: -201.675400
where:
bonds (distance) C4'-P energy: -42.569
bonds (distance) P-C4' energy: -36.775
flat angles C4'-P-C4' energy: -40.080
flat angles P-C4'-P energy: -35.490
tors. eta vs tors. theta energy: -46.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -558.034516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.034516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.034516 (E_RNA)
where:
Base-Base interactions energy: -358.799
where: short stacking energy: -176.394
Base-Backbone interact. energy: -0.113
local terms energy: -199.122949
where:
bonds (distance) C4'-P energy: -37.219
bonds (distance) P-C4' energy: -44.432
flat angles C4'-P-C4' energy: -44.054
flat angles P-C4'-P energy: -30.591
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: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -437.053451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.053451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.053451 (E_RNA)
where:
Base-Base interactions energy: -270.686
where: short stacking energy: -133.634
Base-Backbone interact. energy: -0.872
local terms energy: -165.495868
where:
bonds (distance) C4'-P energy: -34.032
bonds (distance) P-C4' energy: -37.093
flat angles C4'-P-C4' energy: -40.687
flat angles P-C4'-P energy: -22.728
tors. eta vs tors. theta energy: -30.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -454.367093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.367093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.367093 (E_RNA)
where:
Base-Base interactions energy: -271.181
where: short stacking energy: -121.829
Base-Backbone interact. energy: 0.809
local terms energy: -183.995277
where:
bonds (distance) C4'-P energy: -42.860
bonds (distance) P-C4' energy: -40.311
flat angles C4'-P-C4' energy: -37.745
flat angles P-C4'-P energy: -31.105
tors. eta vs tors. theta energy: -31.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -314.921441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.921441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.921441 (E_RNA)
where:
Base-Base interactions energy: -173.455
where: short stacking energy: -101.205
Base-Backbone interact. energy: -1.954
local terms energy: -139.511637
where:
bonds (distance) C4'-P energy: -29.935
bonds (distance) P-C4' energy: -39.850
flat angles C4'-P-C4' energy: -39.464
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -8.645
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: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -268.135932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.135932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.135932 (E_RNA)
where:
Base-Base interactions energy: -147.996
where: short stacking energy: -80.941
Base-Backbone interact. energy: -0.542
local terms energy: -119.598114
where:
bonds (distance) C4'-P energy: -33.158
bonds (distance) P-C4' energy: -36.572
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -21.723
tors. eta vs tors. theta energy: -2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -268.160211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.160211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.160211 (E_RNA)
where:
Base-Base interactions energy: -123.323
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.925
local terms energy: -143.912541
where:
bonds (distance) C4'-P energy: -32.153
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -37.338
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -10.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -190.434647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.434647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.434647 (E_RNA)
where:
Base-Base interactions energy: -53.376
where: short stacking energy: -40.434
Base-Backbone interact. energy: 0.930
local terms energy: -137.988899
where:
bonds (distance) C4'-P energy: -38.705
bonds (distance) P-C4' energy: -37.698
flat angles C4'-P-C4' energy: -41.108
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: 3.845
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: 5
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -673.042981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.042981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.042981 (E_RNA)
where:
Base-Base interactions energy: -442.545
where: short stacking energy: -222.313
Base-Backbone interact. energy: 2.664
local terms energy: -233.161701
where:
bonds (distance) C4'-P energy: -42.057
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -49.643
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: -68.074
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: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -616.068674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.068674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.068674 (E_RNA)
where:
Base-Base interactions energy: -411.969
where: short stacking energy: -179.333
Base-Backbone interact. energy: -0.851
local terms energy: -203.248980
where:
bonds (distance) C4'-P energy: -33.106
bonds (distance) P-C4' energy: -43.962
flat angles C4'-P-C4' energy: -46.670
flat angles P-C4'-P energy: -35.189
tors. eta vs tors. theta energy: -44.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -590.705831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.705831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.705831 (E_RNA)
where:
Base-Base interactions energy: -377.142
where: short stacking energy: -179.664
Base-Backbone interact. energy: -0.113
local terms energy: -213.450272
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -44.914
flat angles C4'-P-C4' energy: -46.841
flat angles P-C4'-P energy: -35.537
tors. eta vs tors. theta energy: -50.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -577.436918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.436918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.436918 (E_RNA)
where:
Base-Base interactions energy: -361.600
where: short stacking energy: -172.431
Base-Backbone interact. energy: -0.314
local terms energy: -215.523628
where:
bonds (distance) C4'-P energy: -43.362
bonds (distance) P-C4' energy: -43.429
flat angles C4'-P-C4' energy: -46.790
flat angles P-C4'-P energy: -30.080
tors. eta vs tors. theta energy: -51.863
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: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -459.275518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.275518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.275518 (E_RNA)
where:
Base-Base interactions energy: -281.719
where: short stacking energy: -144.864
Base-Backbone interact. energy: -0.360
local terms energy: -177.196094
where:
bonds (distance) C4'-P energy: -38.971
bonds (distance) P-C4' energy: -34.231
flat angles C4'-P-C4' energy: -43.870
flat angles P-C4'-P energy: -27.584
tors. eta vs tors. theta energy: -32.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -481.445692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.445692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.445692 (E_RNA)
where:
Base-Base interactions energy: -311.266
where: short stacking energy: -145.564
Base-Backbone interact. energy: 0.987
local terms energy: -171.166791
where:
bonds (distance) C4'-P energy: -37.809
bonds (distance) P-C4' energy: -42.240
flat angles C4'-P-C4' energy: -39.389
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -29.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -316.547071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.547071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.547071 (E_RNA)
where:
Base-Base interactions energy: -164.985
where: short stacking energy: -103.440
Base-Backbone interact. energy: -1.138
local terms energy: -150.424016
where:
bonds (distance) C4'-P energy: -30.405
bonds (distance) P-C4' energy: -34.665
flat angles C4'-P-C4' energy: -41.555
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -25.615
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: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -279.739450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.739450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.739450 (E_RNA)
where:
Base-Base interactions energy: -137.052
where: short stacking energy: -91.651
Base-Backbone interact. energy: -0.786
local terms energy: -141.900767
where:
bonds (distance) C4'-P energy: -33.100
bonds (distance) P-C4' energy: -44.595
flat angles C4'-P-C4' energy: -31.274
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -265.895050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.895050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.895050 (E_RNA)
where:
Base-Base interactions energy: -123.912
where: short stacking energy: -74.231
Base-Backbone interact. energy: -1.181
local terms energy: -140.802176
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -37.157
flat angles C4'-P-C4' energy: -46.270
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -8.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -164.474518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.474518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.474518 (E_RNA)
where:
Base-Base interactions energy: -53.838
where: short stacking energy: -34.285
Base-Backbone interact. energy: 5.308
local terms energy: -115.944749
where:
bonds (distance) C4'-P energy: -39.338
bonds (distance) P-C4' energy: -41.367
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -22.359
tors. eta vs tors. theta energy: 17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -670.748035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.748035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.748035 (E_RNA)
where:
Base-Base interactions energy: -434.657
where: short stacking energy: -207.206
Base-Backbone interact. energy: -0.154
local terms energy: -235.937336
where:
bonds (distance) C4'-P energy: -38.643
bonds (distance) P-C4' energy: -47.328
flat angles C4'-P-C4' energy: -47.281
flat angles P-C4'-P energy: -38.072
tors. eta vs tors. theta energy: -64.613
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: 8
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -629.144624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.144624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.144624 (E_RNA)
where:
Base-Base interactions energy: -409.523
where: short stacking energy: -196.322
Base-Backbone interact. energy: 1.318
local terms energy: -220.939193
where:
bonds (distance) C4'-P energy: -38.553
bonds (distance) P-C4' energy: -47.826
flat angles C4'-P-C4' energy: -46.534
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: -53.259
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: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -604.528978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.528978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.528978 (E_RNA)
where:
Base-Base interactions energy: -403.871
where: short stacking energy: -171.615
Base-Backbone interact. energy: -0.125
local terms energy: -200.533368
where:
bonds (distance) C4'-P energy: -49.636
bonds (distance) P-C4' energy: -39.359
flat angles C4'-P-C4' energy: -44.354
flat angles P-C4'-P energy: -22.756
tors. eta vs tors. theta energy: -44.427
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: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -556.563807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.563807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.563807 (E_RNA)
where:
Base-Base interactions energy: -348.560
where: short stacking energy: -178.927
Base-Backbone interact. energy: -0.284
local terms energy: -207.720342
where:
bonds (distance) C4'-P energy: -37.277
bonds (distance) P-C4' energy: -45.663
flat angles C4'-P-C4' energy: -48.130
flat angles P-C4'-P energy: -21.753
tors. eta vs tors. theta energy: -54.897
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: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -483.604294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.604294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.604294 (E_RNA)
where:
Base-Base interactions energy: -302.741
where: short stacking energy: -127.600
Base-Backbone interact. energy: 3.432
local terms energy: -184.295853
where:
bonds (distance) C4'-P energy: -41.439
bonds (distance) P-C4' energy: -41.173
flat angles C4'-P-C4' energy: -39.103
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: -34.265
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: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -447.098024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.098024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.098024 (E_RNA)
where:
Base-Base interactions energy: -279.454
where: short stacking energy: -128.182
Base-Backbone interact. energy: -2.214
local terms energy: -165.430647
where:
bonds (distance) C4'-P energy: -35.116
bonds (distance) P-C4' energy: -32.202
flat angles C4'-P-C4' energy: -39.992
flat angles P-C4'-P energy: -22.763
tors. eta vs tors. theta energy: -35.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -311.931956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.931956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.931956 (E_RNA)
where:
Base-Base interactions energy: -163.480
where: short stacking energy: -96.132
Base-Backbone interact. energy: -0.997
local terms energy: -147.455677
where:
bonds (distance) C4'-P energy: -37.072
bonds (distance) P-C4' energy: -39.990
flat angles C4'-P-C4' energy: -40.238
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -11.230
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: 1
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -280.278697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.278697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.278697 (E_RNA)
where:
Base-Base interactions energy: -137.076
where: short stacking energy: -72.502
Base-Backbone interact. energy: -0.480
local terms energy: -142.722865
where:
bonds (distance) C4'-P energy: -35.349
bonds (distance) P-C4' energy: -36.595
flat angles C4'-P-C4' energy: -39.326
flat angles P-C4'-P energy: -22.323
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -286.765962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.765962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.765962 (E_RNA)
where:
Base-Base interactions energy: -150.080
where: short stacking energy: -91.901
Base-Backbone interact. energy: -1.060
local terms energy: -135.625684
where:
bonds (distance) C4'-P energy: -27.402
bonds (distance) P-C4' energy: -32.727
flat angles C4'-P-C4' energy: -34.342
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -176.948939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.948939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.948939 (E_RNA)
where:
Base-Base interactions energy: -45.062
where: short stacking energy: -45.090
Base-Backbone interact. energy: -2.252
local terms energy: -129.634754
where:
bonds (distance) C4'-P energy: -36.297
bonds (distance) P-C4' energy: -27.873
flat angles C4'-P-C4' energy: -40.695
flat angles P-C4'-P energy: -20.289
tors. eta vs tors. theta energy: -4.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -656.139382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.139382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.139382 (E_RNA)
where:
Base-Base interactions energy: -440.006
where: short stacking energy: -213.131
Base-Backbone interact. energy: 5.850
local terms energy: -221.983620
where:
bonds (distance) C4'-P energy: -44.304
bonds (distance) P-C4' energy: -40.703
flat angles C4'-P-C4' energy: -45.871
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: -64.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -609.800280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.800280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.800280 (E_RNA)
where:
Base-Base interactions energy: -403.969
where: short stacking energy: -180.321
Base-Backbone interact. energy: -0.525
local terms energy: -205.305898
where:
bonds (distance) C4'-P energy: -40.505
bonds (distance) P-C4' energy: -45.059
flat angles C4'-P-C4' energy: -41.818
flat angles P-C4'-P energy: -27.825
tors. eta vs tors. theta energy: -50.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -618.788411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.788411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.788411 (E_RNA)
where:
Base-Base interactions energy: -417.314
where: short stacking energy: -181.612
Base-Backbone interact. energy: 0.281
local terms energy: -201.755649
where:
bonds (distance) C4'-P energy: -38.731
bonds (distance) P-C4' energy: -45.590
flat angles C4'-P-C4' energy: -39.215
flat angles P-C4'-P energy: -32.451
tors. eta vs tors. theta energy: -45.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -550.375851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.375851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.375851 (E_RNA)
where:
Base-Base interactions energy: -344.954
where: short stacking energy: -158.016
Base-Backbone interact. energy: -0.066
local terms energy: -205.355913
where:
bonds (distance) C4'-P energy: -46.443
bonds (distance) P-C4' energy: -36.845
flat angles C4'-P-C4' energy: -43.441
flat angles P-C4'-P energy: -36.339
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -463.280794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.280794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.280794 (E_RNA)
where:
Base-Base interactions energy: -281.334
where: short stacking energy: -122.168
Base-Backbone interact. energy: -1.240
local terms energy: -180.706539
where:
bonds (distance) C4'-P energy: -41.806
bonds (distance) P-C4' energy: -42.654
flat angles C4'-P-C4' energy: -37.241
flat angles P-C4'-P energy: -26.033
tors. eta vs tors. theta energy: -32.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -455.583020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.583020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.583020 (E_RNA)
where:
Base-Base interactions energy: -292.015
where: short stacking energy: -132.465
Base-Backbone interact. energy: -0.371
local terms energy: -163.196806
where:
bonds (distance) C4'-P energy: -34.670
bonds (distance) P-C4' energy: -35.180
flat angles C4'-P-C4' energy: -44.178
flat angles P-C4'-P energy: -20.431
tors. eta vs tors. theta energy: -28.738
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: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -297.405723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.405723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.405723 (E_RNA)
where:
Base-Base interactions energy: -140.808
where: short stacking energy: -68.313
Base-Backbone interact. energy: 0.393
local terms energy: -156.990590
where:
bonds (distance) C4'-P energy: -41.831
bonds (distance) P-C4' energy: -41.248
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -10.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -309.485185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.485185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.485185 (E_RNA)
where:
Base-Base interactions energy: -159.700
where: short stacking energy: -94.402
Base-Backbone interact. energy: -0.520
local terms energy: -149.264471
where:
bonds (distance) C4'-P energy: -33.010
bonds (distance) P-C4' energy: -40.166
flat angles C4'-P-C4' energy: -35.436
flat angles P-C4'-P energy: -25.577
tors. eta vs tors. theta energy: -15.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -215.847365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.847365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.847365 (E_RNA)
where:
Base-Base interactions energy: -64.099
where: short stacking energy: -54.325
Base-Backbone interact. energy: -1.089
local terms energy: -150.659544
where:
bonds (distance) C4'-P energy: -37.780
bonds (distance) P-C4' energy: -46.034
flat angles C4'-P-C4' energy: -36.146
flat angles P-C4'-P energy: -22.426
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -249.560474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.560474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.560474 (E_RNA)
where:
Base-Base interactions energy: -134.405
where: short stacking energy: -71.892
Base-Backbone interact. energy: 1.099
local terms energy: -116.255118
where:
bonds (distance) C4'-P energy: -38.487
bonds (distance) P-C4' energy: -35.707
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -656.855081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.855081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.855081 (E_RNA)
where:
Base-Base interactions energy: -426.305
where: short stacking energy: -197.999
Base-Backbone interact. energy: -1.881
local terms energy: -228.668145
where:
bonds (distance) C4'-P energy: -46.265
bonds (distance) P-C4' energy: -44.838
flat angles C4'-P-C4' energy: -42.685
flat angles P-C4'-P energy: -32.327
tors. eta vs tors. theta energy: -62.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -626.257080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.257080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.257080 (E_RNA)
where:
Base-Base interactions energy: -413.600
where: short stacking energy: -179.407
Base-Backbone interact. energy: -1.262
local terms energy: -211.395162
where:
bonds (distance) C4'-P energy: -36.198
bonds (distance) P-C4' energy: -42.740
flat angles C4'-P-C4' energy: -48.197
flat angles P-C4'-P energy: -37.943
tors. eta vs tors. theta energy: -46.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -588.651545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.651545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.651545 (E_RNA)
where:
Base-Base interactions energy: -377.181
where: short stacking energy: -186.040
Base-Backbone interact. energy: 0.272
local terms energy: -211.741949
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -42.764
flat angles C4'-P-C4' energy: -46.669
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -54.073
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: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -533.606384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.606384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.606384 (E_RNA)
where:
Base-Base interactions energy: -354.353
where: short stacking energy: -169.619
Base-Backbone interact. energy: -1.298
local terms energy: -177.954889
where:
bonds (distance) C4'-P energy: -33.846
bonds (distance) P-C4' energy: -39.424
flat angles C4'-P-C4' energy: -34.602
flat angles P-C4'-P energy: -29.328
tors. eta vs tors. theta energy: -40.755
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: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -483.168718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.168718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.168718 (E_RNA)
where:
Base-Base interactions energy: -300.763
where: short stacking energy: -141.014
Base-Backbone interact. energy: -0.560
local terms energy: -181.846133
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -36.700
flat angles C4'-P-C4' energy: -38.345
flat angles P-C4'-P energy: -28.396
tors. eta vs tors. theta energy: -41.019
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: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -445.648068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.648068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.648068 (E_RNA)
where:
Base-Base interactions energy: -276.512
where: short stacking energy: -143.966
Base-Backbone interact. energy: 1.080
local terms energy: -170.215959
where:
bonds (distance) C4'-P energy: -37.646
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -36.959
flat angles P-C4'-P energy: -24.220
tors. eta vs tors. theta energy: -34.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -333.568238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.568238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.568238 (E_RNA)
where:
Base-Base interactions energy: -181.326
where: short stacking energy: -99.224
Base-Backbone interact. energy: -0.627
local terms energy: -151.615551
where:
bonds (distance) C4'-P energy: -25.798
bonds (distance) P-C4' energy: -48.296
flat angles C4'-P-C4' energy: -39.327
flat angles P-C4'-P energy: -22.111
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -278.644742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.644742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.644742 (E_RNA)
where:
Base-Base interactions energy: -137.162
where: short stacking energy: -86.193
Base-Backbone interact. energy: -0.005
local terms energy: -141.477763
where:
bonds (distance) C4'-P energy: -33.583
bonds (distance) P-C4' energy: -40.086
flat angles C4'-P-C4' energy: -32.610
flat angles P-C4'-P energy: -23.144
tors. eta vs tors. theta energy: -12.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -187.101364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.101364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.101364 (E_RNA)
where:
Base-Base interactions energy: -53.182
where: short stacking energy: -48.860
Base-Backbone interact. energy: 0.840
local terms energy: -134.759323
where:
bonds (distance) C4'-P energy: -29.283
bonds (distance) P-C4' energy: -46.164
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -26.493
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -251.106387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.106387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.106387 (E_RNA)
where:
Base-Base interactions energy: -116.469
where: short stacking energy: -63.569
Base-Backbone interact. energy: -0.680
local terms energy: -133.956573
where:
bonds (distance) C4'-P energy: -31.812
bonds (distance) P-C4' energy: -35.296
flat angles C4'-P-C4' energy: -37.151
flat angles P-C4'-P energy: -28.910
tors. eta vs tors. theta energy: -0.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -667.320719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.320719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.320719 (E_RNA)
where:
Base-Base interactions energy: -424.043
where: short stacking energy: -197.064
Base-Backbone interact. energy: 0.427
local terms energy: -243.704699
where:
bonds (distance) C4'-P energy: -47.822
bonds (distance) P-C4' energy: -50.837
flat angles C4'-P-C4' energy: -50.039
flat angles P-C4'-P energy: -34.572
tors. eta vs tors. theta energy: -60.434
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: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -636.132937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.132937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.132937 (E_RNA)
where:
Base-Base interactions energy: -435.959
where: short stacking energy: -195.798
Base-Backbone interact. energy: -0.723
local terms energy: -199.450950
where:
bonds (distance) C4'-P energy: -41.076
bonds (distance) P-C4' energy: -41.845
flat angles C4'-P-C4' energy: -42.835
flat angles P-C4'-P energy: -26.382
tors. eta vs tors. theta energy: -47.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -599.270851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.270851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.270851 (E_RNA)
where:
Base-Base interactions energy: -388.052
where: short stacking energy: -203.945
Base-Backbone interact. energy: -0.428
local terms energy: -210.791131
where:
bonds (distance) C4'-P energy: -36.399
bonds (distance) P-C4' energy: -40.210
flat angles C4'-P-C4' energy: -44.327
flat angles P-C4'-P energy: -26.488
tors. eta vs tors. theta energy: -63.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -558.043758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.043758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.043758 (E_RNA)
where:
Base-Base interactions energy: -353.344
where: short stacking energy: -167.958
Base-Backbone interact. energy: -0.052
local terms energy: -204.647852
where:
bonds (distance) C4'-P energy: -35.723
bonds (distance) P-C4' energy: -37.540
flat angles C4'-P-C4' energy: -45.121
flat angles P-C4'-P energy: -32.656
tors. eta vs tors. theta energy: -53.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -453.979003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.979003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.979003 (E_RNA)
where:
Base-Base interactions energy: -263.863
where: short stacking energy: -139.390
Base-Backbone interact. energy: -0.589
local terms energy: -189.526476
where:
bonds (distance) C4'-P energy: -40.324
bonds (distance) P-C4' energy: -45.856
flat angles C4'-P-C4' energy: -42.004
flat angles P-C4'-P energy: -26.728
tors. eta vs tors. theta energy: -34.615
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: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -470.348356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.348356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.348356 (E_RNA)
where:
Base-Base interactions energy: -287.968
where: short stacking energy: -142.102
Base-Backbone interact. energy: -0.357
local terms energy: -182.023888
where:
bonds (distance) C4'-P energy: -37.650
bonds (distance) P-C4' energy: -31.206
flat angles C4'-P-C4' energy: -46.753
flat angles P-C4'-P energy: -23.003
tors. eta vs tors. theta energy: -43.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -335.903998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.903998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.903998 (E_RNA)
where:
Base-Base interactions energy: -190.810
where: short stacking energy: -107.443
Base-Backbone interact. energy: -0.558
local terms energy: -144.535398
where:
bonds (distance) C4'-P energy: -25.503
bonds (distance) P-C4' energy: -44.640
flat angles C4'-P-C4' energy: -36.762
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -264.746705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.746705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.746705 (E_RNA)
where:
Base-Base interactions energy: -117.398
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.827
local terms energy: -146.521866
where:
bonds (distance) C4'-P energy: -44.626
bonds (distance) P-C4' energy: -41.377
flat angles C4'-P-C4' energy: -35.373
flat angles P-C4'-P energy: -18.064
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: 6
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -266.666519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.666519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.666519 (E_RNA)
where:
Base-Base interactions energy: -113.451
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.413
local terms energy: -152.802330
where:
bonds (distance) C4'-P energy: -34.720
bonds (distance) P-C4' energy: -44.055
flat angles C4'-P-C4' energy: -42.846
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -187.802358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.802358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.802358 (E_RNA)
where:
Base-Base interactions energy: -63.227
where: short stacking energy: -62.441
Base-Backbone interact. energy: 1.660
local terms energy: -126.235012
where:
bonds (distance) C4'-P energy: -30.503
bonds (distance) P-C4' energy: -32.175
flat angles C4'-P-C4' energy: -40.932
flat angles P-C4'-P energy: -24.031
tors. eta vs tors. theta energy: 1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -651.999058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.999058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.999058 (E_RNA)
where:
Base-Base interactions energy: -426.319
where: short stacking energy: -208.361
Base-Backbone interact. energy: -0.013
local terms energy: -225.666804
where:
bonds (distance) C4'-P energy: -41.588
bonds (distance) P-C4' energy: -43.555
flat angles C4'-P-C4' energy: -50.265
flat angles P-C4'-P energy: -28.042
tors. eta vs tors. theta energy: -62.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -624.439572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.439572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.439572 (E_RNA)
where:
Base-Base interactions energy: -424.282
where: short stacking energy: -188.079
Base-Backbone interact. energy: -0.440
local terms energy: -199.717361
where:
bonds (distance) C4'-P energy: -42.060
bonds (distance) P-C4' energy: -36.732
flat angles C4'-P-C4' energy: -41.629
flat angles P-C4'-P energy: -30.718
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: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -573.338288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.338288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.338288 (E_RNA)
where:
Base-Base interactions energy: -365.381
where: short stacking energy: -168.405
Base-Backbone interact. energy: -0.803
local terms energy: -207.154793
where:
bonds (distance) C4'-P energy: -44.419
bonds (distance) P-C4' energy: -37.929
flat angles C4'-P-C4' energy: -39.229
flat angles P-C4'-P energy: -32.741
tors. eta vs tors. theta energy: -52.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -556.595759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.595759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.595759 (E_RNA)
where:
Base-Base interactions energy: -363.781
where: short stacking energy: -155.844
Base-Backbone interact. energy: 1.715
local terms energy: -194.529440
where:
bonds (distance) C4'-P energy: -36.130
bonds (distance) P-C4' energy: -38.464
flat angles C4'-P-C4' energy: -44.462
flat angles P-C4'-P energy: -28.702
tors. eta vs tors. theta energy: -46.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -446.311393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.311393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.311393 (E_RNA)
where:
Base-Base interactions energy: -282.355
where: short stacking energy: -129.645
Base-Backbone interact. energy: -0.635
local terms energy: -163.321025
where:
bonds (distance) C4'-P energy: -37.322
bonds (distance) P-C4' energy: -37.346
flat angles C4'-P-C4' energy: -46.305
flat angles P-C4'-P energy: -21.776
tors. eta vs tors. theta energy: -20.572
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: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -466.154705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.154705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.154705 (E_RNA)
where:
Base-Base interactions energy: -281.934
where: short stacking energy: -135.614
Base-Backbone interact. energy: -0.391
local terms energy: -183.829819
where:
bonds (distance) C4'-P energy: -35.852
bonds (distance) P-C4' energy: -43.775
flat angles C4'-P-C4' energy: -42.068
flat angles P-C4'-P energy: -25.303
tors. eta vs tors. theta energy: -36.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -313.403773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.403773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.403773 (E_RNA)
where:
Base-Base interactions energy: -166.137
where: short stacking energy: -98.826
Base-Backbone interact. energy: 0.640
local terms energy: -147.906169
where:
bonds (distance) C4'-P energy: -40.756
bonds (distance) P-C4' energy: -39.657
flat angles C4'-P-C4' energy: -32.580
flat angles P-C4'-P energy: -24.418
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: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -286.279285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.279285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.279285 (E_RNA)
where:
Base-Base interactions energy: -140.843
where: short stacking energy: -67.753
Base-Backbone interact. energy: -0.994
local terms energy: -144.442376
where:
bonds (distance) C4'-P energy: -34.398
bonds (distance) P-C4' energy: -40.954
flat angles C4'-P-C4' energy: -36.041
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -245.961628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.961628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.961628 (E_RNA)
where:
Base-Base interactions energy: -114.673
where: short stacking energy: -70.326
Base-Backbone interact. energy: 0.542
local terms energy: -131.830363
where:
bonds (distance) C4'-P energy: -34.918
bonds (distance) P-C4' energy: -41.273
flat angles C4'-P-C4' energy: -29.152
flat angles P-C4'-P energy: -24.780
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -188.590063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.590063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.590063 (E_RNA)
where:
Base-Base interactions energy: -66.464
where: short stacking energy: -63.681
Base-Backbone interact. energy: -0.862
local terms energy: -121.264476
where:
bonds (distance) C4'-P energy: -36.582
bonds (distance) P-C4' energy: -33.591
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -21.382
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -648.837517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.837517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.837517 (E_RNA)
where:
Base-Base interactions energy: -426.525
where: short stacking energy: -211.619
Base-Backbone interact. energy: -0.677
local terms energy: -221.634965
where:
bonds (distance) C4'-P energy: -40.683
bonds (distance) P-C4' energy: -42.416
flat angles C4'-P-C4' energy: -49.386
flat angles P-C4'-P energy: -31.261
tors. eta vs tors. theta energy: -57.890
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: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -643.727635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.727635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.727635 (E_RNA)
where:
Base-Base interactions energy: -421.421
where: short stacking energy: -185.085
Base-Backbone interact. energy: -0.978
local terms energy: -221.329130
where:
bonds (distance) C4'-P energy: -40.980
bonds (distance) P-C4' energy: -46.094
flat angles C4'-P-C4' energy: -45.434
flat angles P-C4'-P energy: -29.406
tors. eta vs tors. theta energy: -59.415
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: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -587.279603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.279603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.279603 (E_RNA)
where:
Base-Base interactions energy: -370.432
where: short stacking energy: -187.181
Base-Backbone interact. energy: -0.326
local terms energy: -216.521428
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -49.223
flat angles C4'-P-C4' energy: -51.128
flat angles P-C4'-P energy: -33.494
tors. eta vs tors. theta energy: -55.602
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: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -535.894959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.894959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.894959 (E_RNA)
where:
Base-Base interactions energy: -340.113
where: short stacking energy: -168.104
Base-Backbone interact. energy: -0.336
local terms energy: -195.445593
where:
bonds (distance) C4'-P energy: -34.508
bonds (distance) P-C4' energy: -43.311
flat angles C4'-P-C4' energy: -41.918
flat angles P-C4'-P energy: -26.214
tors. eta vs tors. theta energy: -49.494
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: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -439.045760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.045760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.045760 (E_RNA)
where:
Base-Base interactions energy: -262.609
where: short stacking energy: -135.713
Base-Backbone interact. energy: 0.875
local terms energy: -177.311088
where:
bonds (distance) C4'-P energy: -22.276
bonds (distance) P-C4' energy: -46.841
flat angles C4'-P-C4' energy: -45.567
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -38.430
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: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -461.260226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.260226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.260226 (E_RNA)
where:
Base-Base interactions energy: -297.086
where: short stacking energy: -140.543
Base-Backbone interact. energy: -0.136
local terms energy: -164.038589
where:
bonds (distance) C4'-P energy: -34.134
bonds (distance) P-C4' energy: -40.100
flat angles C4'-P-C4' energy: -33.414
flat angles P-C4'-P energy: -25.087
tors. eta vs tors. theta energy: -31.304
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: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -297.113756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.113756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.113756 (E_RNA)
where:
Base-Base interactions energy: -165.000
where: short stacking energy: -79.125
Base-Backbone interact. energy: 0.868
local terms energy: -132.981988
where:
bonds (distance) C4'-P energy: -36.687
bonds (distance) P-C4' energy: -31.965
flat angles C4'-P-C4' energy: -42.385
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -282.240051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.240051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.240051 (E_RNA)
where:
Base-Base interactions energy: -130.626
where: short stacking energy: -63.460
Base-Backbone interact. energy: -1.379
local terms energy: -150.235283
where:
bonds (distance) C4'-P energy: -45.102
bonds (distance) P-C4' energy: -35.744
flat angles C4'-P-C4' energy: -33.771
flat angles P-C4'-P energy: -25.984
tors. eta vs tors. theta energy: -9.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -198.876656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.876656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.876656 (E_RNA)
where:
Base-Base interactions energy: -67.997
where: short stacking energy: -52.169
Base-Backbone interact. energy: -2.492
local terms energy: -128.387582
where:
bonds (distance) C4'-P energy: -34.685
bonds (distance) P-C4' energy: -40.602
flat angles C4'-P-C4' energy: -38.911
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -200.830294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.830294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.830294 (E_RNA)
where:
Base-Base interactions energy: -88.081
where: short stacking energy: -63.346
Base-Backbone interact. energy: -1.088
local terms energy: -111.660696
where:
bonds (distance) C4'-P energy: -39.216
bonds (distance) P-C4' energy: -30.906
flat angles C4'-P-C4' energy: -26.273
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -4.655
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: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -652.802601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.802601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.802601 (E_RNA)
where:
Base-Base interactions energy: -421.950
where: short stacking energy: -221.145
Base-Backbone interact. energy: 1.097
local terms energy: -231.949376
where:
bonds (distance) C4'-P energy: -47.034
bonds (distance) P-C4' energy: -42.506
flat angles C4'-P-C4' energy: -44.151
flat angles P-C4'-P energy: -30.250
tors. eta vs tors. theta energy: -68.008
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: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -655.666898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.666898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.666898 (E_RNA)
where:
Base-Base interactions energy: -441.366
where: short stacking energy: -195.594
Base-Backbone interact. energy: 0.413
local terms energy: -214.714369
where:
bonds (distance) C4'-P energy: -37.904
bonds (distance) P-C4' energy: -47.248
flat angles C4'-P-C4' energy: -45.753
flat angles P-C4'-P energy: -27.322
tors. eta vs tors. theta energy: -56.488
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: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -622.526881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.526881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.526881 (E_RNA)
where:
Base-Base interactions energy: -396.623
where: short stacking energy: -198.994
Base-Backbone interact. energy: 0.856
local terms energy: -226.759824
where:
bonds (distance) C4'-P energy: -46.946
bonds (distance) P-C4' energy: -41.881
flat angles C4'-P-C4' energy: -45.720
flat angles P-C4'-P energy: -29.611
tors. eta vs tors. theta energy: -62.601
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: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -544.912293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.912293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.912293 (E_RNA)
where:
Base-Base interactions energy: -345.480
where: short stacking energy: -154.198
Base-Backbone interact. energy: -0.640
local terms energy: -198.793125
where:
bonds (distance) C4'-P energy: -44.172
bonds (distance) P-C4' energy: -43.199
flat angles C4'-P-C4' energy: -40.042
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -46.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -478.582126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.582126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.582126 (E_RNA)
where:
Base-Base interactions energy: -295.290
where: short stacking energy: -152.343
Base-Backbone interact. energy: -0.042
local terms energy: -183.249923
where:
bonds (distance) C4'-P energy: -42.050
bonds (distance) P-C4' energy: -30.861
flat angles C4'-P-C4' energy: -46.867
flat angles P-C4'-P energy: -23.415
tors. eta vs tors. theta energy: -40.056
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: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -456.394323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.394323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.394323 (E_RNA)
where:
Base-Base interactions energy: -266.820
where: short stacking energy: -135.664
Base-Backbone interact. energy: -0.023
local terms energy: -189.551947
where:
bonds (distance) C4'-P energy: -36.623
bonds (distance) P-C4' energy: -42.393
flat angles C4'-P-C4' energy: -40.758
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: -33.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -336.531264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.531264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.531264 (E_RNA)
where:
Base-Base interactions energy: -168.456
where: short stacking energy: -98.212
Base-Backbone interact. energy: -0.948
local terms energy: -167.127448
where:
bonds (distance) C4'-P energy: -39.445
bonds (distance) P-C4' energy: -46.084
flat angles C4'-P-C4' energy: -34.583
flat angles P-C4'-P energy: -28.722
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -272.474398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.474398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.474398 (E_RNA)
where:
Base-Base interactions energy: -125.066
where: short stacking energy: -67.593
Base-Backbone interact. energy: 1.300
local terms energy: -148.709158
where:
bonds (distance) C4'-P energy: -36.054
bonds (distance) P-C4' energy: -41.202
flat angles C4'-P-C4' energy: -44.887
flat angles P-C4'-P energy: -24.144
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -197.943634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.943634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.943634 (E_RNA)
where:
Base-Base interactions energy: -76.079
where: short stacking energy: -75.683
Base-Backbone interact. energy: 0.129
local terms energy: -121.992868
where:
bonds (distance) C4'-P energy: -31.185
bonds (distance) P-C4' energy: -30.864
flat angles C4'-P-C4' energy: -39.894
flat angles P-C4'-P energy: -15.089
tors. eta vs tors. theta energy: -4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -193.802167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.802167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.802167 (E_RNA)
where:
Base-Base interactions energy: -65.492
where: short stacking energy: -44.931
Base-Backbone interact. energy: -0.378
local terms energy: -127.933135
where:
bonds (distance) C4'-P energy: -31.662
bonds (distance) P-C4' energy: -39.765
flat angles C4'-P-C4' energy: -34.513
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: -0.732
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: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -641.865343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.865343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.865343 (E_RNA)
where:
Base-Base interactions energy: -425.201
where: short stacking energy: -187.320
Base-Backbone interact. energy: -1.022
local terms energy: -215.642296
where:
bonds (distance) C4'-P energy: -43.764
bonds (distance) P-C4' energy: -45.657
flat angles C4'-P-C4' energy: -42.561
flat angles P-C4'-P energy: -28.027
tors. eta vs tors. theta energy: -55.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -638.077635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.077635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.077635 (E_RNA)
where:
Base-Base interactions energy: -409.825
where: short stacking energy: -213.350
Base-Backbone interact. energy: 0.022
local terms energy: -228.274495
where:
bonds (distance) C4'-P energy: -43.567
bonds (distance) P-C4' energy: -39.291
flat angles C4'-P-C4' energy: -48.118
flat angles P-C4'-P energy: -38.803
tors. eta vs tors. theta energy: -58.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -607.716085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.716085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.716085 (E_RNA)
where:
Base-Base interactions energy: -384.587
where: short stacking energy: -179.731
Base-Backbone interact. energy: -0.082
local terms energy: -223.047959
where:
bonds (distance) C4'-P energy: -40.906
bonds (distance) P-C4' energy: -46.169
flat angles C4'-P-C4' energy: -44.236
flat angles P-C4'-P energy: -30.546
tors. eta vs tors. theta energy: -61.191
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: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -536.066289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.066289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.066289 (E_RNA)
where:
Base-Base interactions energy: -345.256
where: short stacking energy: -173.025
Base-Backbone interact. energy: 0.063
local terms energy: -190.872950
where:
bonds (distance) C4'-P energy: -33.748
bonds (distance) P-C4' energy: -39.761
flat angles C4'-P-C4' energy: -42.363
flat angles P-C4'-P energy: -30.216
tors. eta vs tors. theta energy: -44.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -451.316749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.316749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.316749 (E_RNA)
where:
Base-Base interactions energy: -283.144
where: short stacking energy: -142.512
Base-Backbone interact. energy: 0.523
local terms energy: -168.696382
where:
bonds (distance) C4'-P energy: -43.835
bonds (distance) P-C4' energy: -37.987
flat angles C4'-P-C4' energy: -37.849
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -28.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -461.573574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.573574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.573574 (E_RNA)
where:
Base-Base interactions energy: -284.416
where: short stacking energy: -132.842
Base-Backbone interact. energy: -0.411
local terms energy: -176.746733
where:
bonds (distance) C4'-P energy: -41.089
bonds (distance) P-C4' energy: -35.920
flat angles C4'-P-C4' energy: -41.098
flat angles P-C4'-P energy: -22.175
tors. eta vs tors. theta energy: -36.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -328.356957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.356957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.356957 (E_RNA)
where:
Base-Base interactions energy: -176.068
where: short stacking energy: -93.636
Base-Backbone interact. energy: -0.391
local terms energy: -151.898460
where:
bonds (distance) C4'-P energy: -29.718
bonds (distance) P-C4' energy: -37.685
flat angles C4'-P-C4' energy: -39.924
flat angles P-C4'-P energy: -30.208
tors. eta vs tors. theta energy: -14.364
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: 404
Temperature: 1.250000
Total energy: -214.354700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.354700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.354700 (E_RNA)
where:
Base-Base interactions energy: -86.069
where: short stacking energy: -65.717
Base-Backbone interact. energy: -0.596
local terms energy: -127.690001
where:
bonds (distance) C4'-P energy: -36.586
bonds (distance) P-C4' energy: -37.927
flat angles C4'-P-C4' energy: -39.064
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -4.083
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: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -210.302100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.302100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.302100 (E_RNA)
where:
Base-Base interactions energy: -81.197
where: short stacking energy: -64.398
Base-Backbone interact. energy: 0.802
local terms energy: -129.907192
where:
bonds (distance) C4'-P energy: -32.438
bonds (distance) P-C4' energy: -41.411
flat angles C4'-P-C4' energy: -37.263
flat angles P-C4'-P energy: -18.976
tors. eta vs tors. theta energy: 0.180
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: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -179.678393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.678393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.678393 (E_RNA)
where:
Base-Base interactions energy: -73.013
where: short stacking energy: -64.123
Base-Backbone interact. energy: 0.420
local terms energy: -107.085577
where:
bonds (distance) C4'-P energy: -27.929
bonds (distance) P-C4' energy: -27.837
flat angles C4'-P-C4' energy: -37.590
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: 2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -664.180770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.180770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.180770 (E_RNA)
where:
Base-Base interactions energy: -438.914
where: short stacking energy: -183.740
Base-Backbone interact. energy: 0.124
local terms energy: -225.391294
where:
bonds (distance) C4'-P energy: -48.094
bonds (distance) P-C4' energy: -44.552
flat angles C4'-P-C4' energy: -50.915
flat angles P-C4'-P energy: -29.792
tors. eta vs tors. theta energy: -52.038
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: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -648.215885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.215885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.215885 (E_RNA)
where:
Base-Base interactions energy: -420.010
where: short stacking energy: -221.204
Base-Backbone interact. energy: 0.162
local terms energy: -228.367833
where:
bonds (distance) C4'-P energy: -43.239
bonds (distance) P-C4' energy: -41.844
flat angles C4'-P-C4' energy: -46.557
flat angles P-C4'-P energy: -29.937
tors. eta vs tors. theta energy: -66.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -591.389393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.389393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.389393 (E_RNA)
where:
Base-Base interactions energy: -384.963
where: short stacking energy: -193.883
Base-Backbone interact. energy: -1.665
local terms energy: -204.761197
where:
bonds (distance) C4'-P energy: -32.013
bonds (distance) P-C4' energy: -40.226
flat angles C4'-P-C4' energy: -46.482
flat angles P-C4'-P energy: -25.687
tors. eta vs tors. theta energy: -60.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -546.292768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.292768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.292768 (E_RNA)
where:
Base-Base interactions energy: -357.179
where: short stacking energy: -158.505
Base-Backbone interact. energy: 1.582
local terms energy: -190.695581
where:
bonds (distance) C4'-P energy: -36.194
bonds (distance) P-C4' energy: -46.381
flat angles C4'-P-C4' energy: -41.038
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -43.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -455.773829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.773829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.773829 (E_RNA)
where:
Base-Base interactions energy: -264.782
where: short stacking energy: -140.666
Base-Backbone interact. energy: -0.601
local terms energy: -190.390420
where:
bonds (distance) C4'-P energy: -42.200
bonds (distance) P-C4' energy: -33.683
flat angles C4'-P-C4' energy: -44.711
flat angles P-C4'-P energy: -21.214
tors. eta vs tors. theta energy: -48.582
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: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -455.752173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.752173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.752173 (E_RNA)
where:
Base-Base interactions energy: -259.273
where: short stacking energy: -124.184
Base-Backbone interact. energy: -0.171
local terms energy: -196.308629
where:
bonds (distance) C4'-P energy: -41.463
bonds (distance) P-C4' energy: -41.712
flat angles C4'-P-C4' energy: -46.254
flat angles P-C4'-P energy: -23.875
tors. eta vs tors. theta energy: -43.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -320.637051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.637051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.637051 (E_RNA)
where:
Base-Base interactions energy: -186.976
where: short stacking energy: -103.450
Base-Backbone interact. energy: -0.504
local terms energy: -133.156715
where:
bonds (distance) C4'-P energy: -38.472
bonds (distance) P-C4' energy: -31.090
flat angles C4'-P-C4' energy: -30.506
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -196.795188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.795188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.795188 (E_RNA)
where:
Base-Base interactions energy: -61.071
where: short stacking energy: -59.624
Base-Backbone interact. energy: -0.299
local terms energy: -135.424871
where:
bonds (distance) C4'-P energy: -42.714
bonds (distance) P-C4' energy: -42.451
flat angles C4'-P-C4' energy: -34.209
flat angles P-C4'-P energy: -22.049
tors. eta vs tors. theta energy: 5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -187.036325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.036325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.036325 (E_RNA)
where:
Base-Base interactions energy: -75.850
where: short stacking energy: -38.137
Base-Backbone interact. energy: 1.251
local terms energy: -112.438002
where:
bonds (distance) C4'-P energy: -38.378
bonds (distance) P-C4' energy: -38.226
flat angles C4'-P-C4' energy: -31.349
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: 11.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -191.771961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.771961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.771961 (E_RNA)
where:
Base-Base interactions energy: -65.374
where: short stacking energy: -60.702
Base-Backbone interact. energy: 3.454
local terms energy: -129.851966
where:
bonds (distance) C4'-P energy: -43.118
bonds (distance) P-C4' energy: -44.193
flat angles C4'-P-C4' energy: -26.598
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -655.320684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.320684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.320684 (E_RNA)
where:
Base-Base interactions energy: -435.532
where: short stacking energy: -191.892
Base-Backbone interact. energy: -0.640
local terms energy: -219.148543
where:
bonds (distance) C4'-P energy: -43.277
bonds (distance) P-C4' energy: -43.952
flat angles C4'-P-C4' energy: -48.819
flat angles P-C4'-P energy: -31.278
tors. eta vs tors. theta energy: -51.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -645.102365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.102365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.102365 (E_RNA)
where:
Base-Base interactions energy: -409.303
where: short stacking energy: -205.593
Base-Backbone interact. energy: -0.082
local terms energy: -235.717616
where:
bonds (distance) C4'-P energy: -35.561
bonds (distance) P-C4' energy: -45.734
flat angles C4'-P-C4' energy: -52.409
flat angles P-C4'-P energy: -31.412
tors. eta vs tors. theta energy: -70.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -606.626594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.626594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.626594 (E_RNA)
where:
Base-Base interactions energy: -401.595
where: short stacking energy: -193.768
Base-Backbone interact. energy: 0.627
local terms energy: -205.658431
where:
bonds (distance) C4'-P energy: -36.176
bonds (distance) P-C4' energy: -44.798
flat angles C4'-P-C4' energy: -42.141
flat angles P-C4'-P energy: -28.335
tors. eta vs tors. theta energy: -54.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -553.486902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.486902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.486902 (E_RNA)
where:
Base-Base interactions energy: -346.553
where: short stacking energy: -147.939
Base-Backbone interact. energy: 1.079
local terms energy: -208.013224
where:
bonds (distance) C4'-P energy: -51.840
bonds (distance) P-C4' energy: -45.790
flat angles C4'-P-C4' energy: -42.101
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -41.070
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: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -462.994344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.994344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.994344 (E_RNA)
where:
Base-Base interactions energy: -278.113
where: short stacking energy: -133.917
Base-Backbone interact. energy: -0.248
local terms energy: -184.633321
where:
bonds (distance) C4'-P energy: -38.280
bonds (distance) P-C4' energy: -32.313
flat angles C4'-P-C4' energy: -44.497
flat angles P-C4'-P energy: -30.574
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: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -488.198979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.198979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.198979 (E_RNA)
where:
Base-Base interactions energy: -314.398
where: short stacking energy: -142.859
Base-Backbone interact. energy: -0.552
local terms energy: -173.248307
where:
bonds (distance) C4'-P energy: -33.763
bonds (distance) P-C4' energy: -38.772
flat angles C4'-P-C4' energy: -41.019
flat angles P-C4'-P energy: -18.798
tors. eta vs tors. theta energy: -40.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -305.639323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.639323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.639323 (E_RNA)
where:
Base-Base interactions energy: -166.192
where: short stacking energy: -88.402
Base-Backbone interact. energy: -1.200
local terms energy: -138.247176
where:
bonds (distance) C4'-P energy: -38.109
bonds (distance) P-C4' energy: -39.909
flat angles C4'-P-C4' energy: -32.587
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -10.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -214.015232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.015232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.015232 (E_RNA)
where:
Base-Base interactions energy: -66.323
where: short stacking energy: -55.926
Base-Backbone interact. energy: -1.976
local terms energy: -145.716101
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -32.515
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -27.510
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -192.741928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.741928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.741928 (E_RNA)
where:
Base-Base interactions energy: -77.068
where: short stacking energy: -52.105
Base-Backbone interact. energy: 1.558
local terms energy: -117.231321
where:
bonds (distance) C4'-P energy: -38.261
bonds (distance) P-C4' energy: -33.109
flat angles C4'-P-C4' energy: -25.560
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -0.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -189.154655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.154655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.154655 (E_RNA)
where:
Base-Base interactions energy: -63.247
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.043
local terms energy: -125.864386
where:
bonds (distance) C4'-P energy: -33.937
bonds (distance) P-C4' energy: -32.227
flat angles C4'-P-C4' energy: -38.084
flat angles P-C4'-P energy: -18.680
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -678.327905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.327905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.327905 (E_RNA)
where:
Base-Base interactions energy: -457.386
where: short stacking energy: -209.207
Base-Backbone interact. energy: -2.699
local terms energy: -218.242986
where:
bonds (distance) C4'-P energy: -39.173
bonds (distance) P-C4' energy: -45.394
flat angles C4'-P-C4' energy: -47.386
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -54.618
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: 8
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -615.489650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.489650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.489650 (E_RNA)
where:
Base-Base interactions energy: -399.468
where: short stacking energy: -189.472
Base-Backbone interact. energy: 0.366
local terms energy: -216.387697
where:
bonds (distance) C4'-P energy: -37.970
bonds (distance) P-C4' energy: -40.037
flat angles C4'-P-C4' energy: -44.155
flat angles P-C4'-P energy: -39.284
tors. eta vs tors. theta energy: -54.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -606.404437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.404437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.404437 (E_RNA)
where:
Base-Base interactions energy: -394.502
where: short stacking energy: -195.650
Base-Backbone interact. energy: -0.364
local terms energy: -211.538427
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -39.853
flat angles C4'-P-C4' energy: -47.699
flat angles P-C4'-P energy: -32.122
tors. eta vs tors. theta energy: -58.242
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: 7
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -525.698967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.698967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.698967 (E_RNA)
where:
Base-Base interactions energy: -342.519
where: short stacking energy: -149.475
Base-Backbone interact. energy: -0.915
local terms energy: -182.265375
where:
bonds (distance) C4'-P energy: -30.099
bonds (distance) P-C4' energy: -44.296
flat angles C4'-P-C4' energy: -44.197
flat angles P-C4'-P energy: -23.775
tors. eta vs tors. theta energy: -39.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -459.908880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.908880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.908880 (E_RNA)
where:
Base-Base interactions energy: -290.985
where: short stacking energy: -125.069
Base-Backbone interact. energy: -1.967
local terms energy: -166.956728
where:
bonds (distance) C4'-P energy: -38.146
bonds (distance) P-C4' energy: -38.997
flat angles C4'-P-C4' energy: -38.674
flat angles P-C4'-P energy: -21.437
tors. eta vs tors. theta energy: -29.703
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: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -441.520456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.520456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.520456 (E_RNA)
where:
Base-Base interactions energy: -277.248
where: short stacking energy: -133.818
Base-Backbone interact. energy: -0.326
local terms energy: -163.946868
where:
bonds (distance) C4'-P energy: -36.148
bonds (distance) P-C4' energy: -39.945
flat angles C4'-P-C4' energy: -41.745
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -28.471
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: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -307.748026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.748026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.748026 (E_RNA)
where:
Base-Base interactions energy: -158.460
where: short stacking energy: -96.713
Base-Backbone interact. energy: -0.544
local terms energy: -148.744188
where:
bonds (distance) C4'-P energy: -39.219
bonds (distance) P-C4' energy: -37.492
flat angles C4'-P-C4' energy: -36.576
flat angles P-C4'-P energy: -21.755
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -214.966124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.966124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.966124 (E_RNA)
where:
Base-Base interactions energy: -68.109
where: short stacking energy: -69.609
Base-Backbone interact. energy: 0.115
local terms energy: -146.971912
where:
bonds (distance) C4'-P energy: -26.279
bonds (distance) P-C4' energy: -44.254
flat angles C4'-P-C4' energy: -34.462
flat angles P-C4'-P energy: -29.811
tors. eta vs tors. theta energy: -12.166
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: 2
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -187.571975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.571975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.571975 (E_RNA)
where:
Base-Base interactions energy: -70.846
where: short stacking energy: -63.582
Base-Backbone interact. energy: 2.485
local terms energy: -119.210614
where:
bonds (distance) C4'-P energy: -43.032
bonds (distance) P-C4' energy: -34.284
flat angles C4'-P-C4' energy: -27.357
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: 6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -203.466087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.466087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.466087 (E_RNA)
where:
Base-Base interactions energy: -90.071
where: short stacking energy: -53.176
Base-Backbone interact. energy: -0.534
local terms energy: -112.860597
where:
bonds (distance) C4'-P energy: -32.563
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -42.639
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: 5.138
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: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -655.472001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.472001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.472001 (E_RNA)
where:
Base-Base interactions energy: -449.296
where: short stacking energy: -191.142
Base-Backbone interact. energy: 0.108
local terms energy: -206.284253
where:
bonds (distance) C4'-P energy: -41.255
bonds (distance) P-C4' energy: -43.072
flat angles C4'-P-C4' energy: -37.843
flat angles P-C4'-P energy: -32.025
tors. eta vs tors. theta energy: -52.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -620.395878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.395878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.395878 (E_RNA)
where:
Base-Base interactions energy: -388.023
where: short stacking energy: -190.032
Base-Backbone interact. energy: -0.587
local terms energy: -231.786389
where:
bonds (distance) C4'-P energy: -45.965
bonds (distance) P-C4' energy: -46.256
flat angles C4'-P-C4' energy: -49.299
flat angles P-C4'-P energy: -34.417
tors. eta vs tors. theta energy: -55.850
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: 5
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -599.157106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.157106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.157106 (E_RNA)
where:
Base-Base interactions energy: -377.356
where: short stacking energy: -196.496
Base-Backbone interact. energy: 2.920
local terms energy: -224.720626
where:
bonds (distance) C4'-P energy: -39.943
bonds (distance) P-C4' energy: -47.678
flat angles C4'-P-C4' energy: -53.131
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -60.322
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: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -531.435664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.435664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.435664 (E_RNA)
where:
Base-Base interactions energy: -328.528
where: short stacking energy: -153.306
Base-Backbone interact. energy: -0.531
local terms energy: -202.377061
where:
bonds (distance) C4'-P energy: -43.865
bonds (distance) P-C4' energy: -43.839
flat angles C4'-P-C4' energy: -42.698
flat angles P-C4'-P energy: -26.942
tors. eta vs tors. theta energy: -45.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -422.356135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.356135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.356135 (E_RNA)
where:
Base-Base interactions energy: -264.456
where: short stacking energy: -133.724
Base-Backbone interact. energy: -0.813
local terms energy: -157.087856
where:
bonds (distance) C4'-P energy: -26.604
bonds (distance) P-C4' energy: -36.555
flat angles C4'-P-C4' energy: -38.740
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -29.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -478.645447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.645447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.645447 (E_RNA)
where:
Base-Base interactions energy: -284.370
where: short stacking energy: -124.659
Base-Backbone interact. energy: -1.158
local terms energy: -193.117594
where:
bonds (distance) C4'-P energy: -48.383
bonds (distance) P-C4' energy: -42.035
flat angles C4'-P-C4' energy: -37.581
flat angles P-C4'-P energy: -27.288
tors. eta vs tors. theta energy: -37.830
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: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -297.742383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.742383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.742383 (E_RNA)
where:
Base-Base interactions energy: -138.467
where: short stacking energy: -86.151
Base-Backbone interact. energy: 2.384
local terms energy: -161.659023
where:
bonds (distance) C4'-P energy: -42.677
bonds (distance) P-C4' energy: -36.892
flat angles C4'-P-C4' energy: -38.879
flat angles P-C4'-P energy: -29.371
tors. eta vs tors. theta energy: -13.840
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: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -210.677603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.677603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.677603 (E_RNA)
where:
Base-Base interactions energy: -81.267
where: short stacking energy: -59.237
Base-Backbone interact. energy: 0.542
local terms energy: -129.952862
where:
bonds (distance) C4'-P energy: -37.813
bonds (distance) P-C4' energy: -34.261
flat angles C4'-P-C4' energy: -37.421
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: 0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -186.979735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.979735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.979735 (E_RNA)
where:
Base-Base interactions energy: -71.133
where: short stacking energy: -69.858
Base-Backbone interact. energy: -0.808
local terms energy: -115.038650
where:
bonds (distance) C4'-P energy: -31.310
bonds (distance) P-C4' energy: -32.742
flat angles C4'-P-C4' energy: -30.055
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -193.917446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.917446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.917446 (E_RNA)
where:
Base-Base interactions energy: -62.766
where: short stacking energy: -59.927
Base-Backbone interact. energy: 0.857
local terms energy: -132.008554
where:
bonds (distance) C4'-P energy: -28.286
bonds (distance) P-C4' energy: -33.560
flat angles C4'-P-C4' energy: -37.271
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -672.123335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.123335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.123335 (E_RNA)
where:
Base-Base interactions energy: -441.261
where: short stacking energy: -194.794
Base-Backbone interact. energy: -0.509
local terms energy: -230.353276
where:
bonds (distance) C4'-P energy: -48.901
bonds (distance) P-C4' energy: -45.926
flat angles C4'-P-C4' energy: -52.123
flat angles P-C4'-P energy: -29.878
tors. eta vs tors. theta energy: -53.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -610.055899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.055899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.055899 (E_RNA)
where:
Base-Base interactions energy: -391.404
where: short stacking energy: -187.230
Base-Backbone interact. energy: -0.674
local terms energy: -217.978444
where:
bonds (distance) C4'-P energy: -40.239
bonds (distance) P-C4' energy: -50.611
flat angles C4'-P-C4' energy: -40.770
flat angles P-C4'-P energy: -28.640
tors. eta vs tors. theta energy: -57.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -632.326325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.326325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.326325 (E_RNA)
where:
Base-Base interactions energy: -413.319
where: short stacking energy: -191.938
Base-Backbone interact. energy: -0.132
local terms energy: -218.875163
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -38.531
flat angles C4'-P-C4' energy: -49.383
flat angles P-C4'-P energy: -35.590
tors. eta vs tors. theta energy: -54.770
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: 4, replica: 7
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -536.910539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.910539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.910539 (E_RNA)
where:
Base-Base interactions energy: -347.724
where: short stacking energy: -155.225
Base-Backbone interact. energy: -0.391
local terms energy: -188.795375
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -45.236
flat angles C4'-P-C4' energy: -41.651
flat angles P-C4'-P energy: -24.938
tors. eta vs tors. theta energy: -39.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -427.867528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.867528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.867528 (E_RNA)
where:
Base-Base interactions energy: -260.168
where: short stacking energy: -123.812
Base-Backbone interact. energy: -1.948
local terms energy: -165.752183
where:
bonds (distance) C4'-P energy: -37.840
bonds (distance) P-C4' energy: -40.914
flat angles C4'-P-C4' energy: -37.623
flat angles P-C4'-P energy: -27.491
tors. eta vs tors. theta energy: -21.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -455.813538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.813538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.813538 (E_RNA)
where:
Base-Base interactions energy: -273.533
where: short stacking energy: -133.591
Base-Backbone interact. energy: -0.614
local terms energy: -181.666275
where:
bonds (distance) C4'-P energy: -43.024
bonds (distance) P-C4' energy: -39.478
flat angles C4'-P-C4' energy: -42.227
flat angles P-C4'-P energy: -23.899
tors. eta vs tors. theta energy: -33.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -305.546261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.546261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.546261 (E_RNA)
where:
Base-Base interactions energy: -145.110
where: short stacking energy: -85.485
Base-Backbone interact. energy: -0.489
local terms energy: -159.947214
where:
bonds (distance) C4'-P energy: -35.424
bonds (distance) P-C4' energy: -40.188
flat angles C4'-P-C4' energy: -34.731
flat angles P-C4'-P energy: -29.943
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -236.275807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.275807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.275807 (E_RNA)
where:
Base-Base interactions energy: -103.980
where: short stacking energy: -73.133
Base-Backbone interact. energy: 1.443
local terms energy: -133.739090
where:
bonds (distance) C4'-P energy: -38.672
bonds (distance) P-C4' energy: -37.956
flat angles C4'-P-C4' energy: -31.625
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -207.720742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.720742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.720742 (E_RNA)
where:
Base-Base interactions energy: -83.799
where: short stacking energy: -56.911
Base-Backbone interact. energy: 1.861
local terms energy: -125.782626
where:
bonds (distance) C4'-P energy: -32.890
bonds (distance) P-C4' energy: -46.075
flat angles C4'-P-C4' energy: -34.658
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -2.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -190.468052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.468052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.468052 (E_RNA)
where:
Base-Base interactions energy: -77.306
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.414
local terms energy: -112.748032
where:
bonds (distance) C4'-P energy: -36.349
bonds (distance) P-C4' energy: -38.915
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -5.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -668.387820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.387820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.387820 (E_RNA)
where:
Base-Base interactions energy: -444.584
where: short stacking energy: -197.935
Base-Backbone interact. energy: 0.335
local terms energy: -224.138904
where:
bonds (distance) C4'-P energy: -43.283
bonds (distance) P-C4' energy: -48.234
flat angles C4'-P-C4' energy: -48.266
flat angles P-C4'-P energy: -32.936
tors. eta vs tors. theta energy: -51.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -631.446127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.446127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.446127 (E_RNA)
where:
Base-Base interactions energy: -399.799
where: short stacking energy: -200.858
Base-Backbone interact. energy: 0.031
local terms energy: -231.677756
where:
bonds (distance) C4'-P energy: -40.411
bonds (distance) P-C4' energy: -43.854
flat angles C4'-P-C4' energy: -47.928
flat angles P-C4'-P energy: -37.496
tors. eta vs tors. theta energy: -61.988
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: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -606.681879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.681879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.681879 (E_RNA)
where:
Base-Base interactions energy: -395.666
where: short stacking energy: -197.192
Base-Backbone interact. energy: -0.417
local terms energy: -210.598475
where:
bonds (distance) C4'-P energy: -44.717
bonds (distance) P-C4' energy: -36.846
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: -55.906
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: 7
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -513.590612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.590612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.590612 (E_RNA)
where:
Base-Base interactions energy: -328.812
where: short stacking energy: -143.277
Base-Backbone interact. energy: -0.626
local terms energy: -184.152943
where:
bonds (distance) C4'-P energy: -40.176
bonds (distance) P-C4' energy: -39.546
flat angles C4'-P-C4' energy: -41.251
flat angles P-C4'-P energy: -18.418
tors. eta vs tors. theta energy: -44.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -464.330474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.330474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.330474 (E_RNA)
where:
Base-Base interactions energy: -275.654
where: short stacking energy: -159.203
Base-Backbone interact. energy: -0.770
local terms energy: -187.906907
where:
bonds (distance) C4'-P energy: -41.268
bonds (distance) P-C4' energy: -32.889
flat angles C4'-P-C4' energy: -46.348
flat angles P-C4'-P energy: -20.528
tors. eta vs tors. theta energy: -46.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -449.621814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.621814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.621814 (E_RNA)
where:
Base-Base interactions energy: -278.734
where: short stacking energy: -123.268
Base-Backbone interact. energy: -0.976
local terms energy: -169.911492
where:
bonds (distance) C4'-P energy: -42.073
bonds (distance) P-C4' energy: -40.840
flat angles C4'-P-C4' energy: -38.058
flat angles P-C4'-P energy: -27.070
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -304.503077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.503077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.503077 (E_RNA)
where:
Base-Base interactions energy: -146.966
where: short stacking energy: -89.543
Base-Backbone interact. energy: -0.197
local terms energy: -157.339909
where:
bonds (distance) C4'-P energy: -35.112
bonds (distance) P-C4' energy: -43.314
flat angles C4'-P-C4' energy: -31.437
flat angles P-C4'-P energy: -32.583
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -211.765698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.765698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.765698 (E_RNA)
where:
Base-Base interactions energy: -86.224
where: short stacking energy: -62.103
Base-Backbone interact. energy: -0.173
local terms energy: -125.368370
where:
bonds (distance) C4'-P energy: -40.512
bonds (distance) P-C4' energy: -30.412
flat angles C4'-P-C4' energy: -26.657
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -6.724
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: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -218.748093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.748093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.748093 (E_RNA)
where:
Base-Base interactions energy: -78.948
where: short stacking energy: -66.743
Base-Backbone interact. energy: -0.276
local terms energy: -139.524789
where:
bonds (distance) C4'-P energy: -32.941
bonds (distance) P-C4' energy: -48.339
flat angles C4'-P-C4' energy: -32.488
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -3.737
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: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -184.224605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.224605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.224605 (E_RNA)
where:
Base-Base interactions energy: -57.320
where: short stacking energy: -56.535
Base-Backbone interact. energy: 0.881
local terms energy: -127.785414
where:
bonds (distance) C4'-P energy: -31.855
bonds (distance) P-C4' energy: -48.703
flat angles C4'-P-C4' energy: -26.331
flat angles P-C4'-P energy: -23.986
tors. eta vs tors. theta energy: 3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -665.866207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.866207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.866207 (E_RNA)
where:
Base-Base interactions energy: -445.560
where: short stacking energy: -202.867
Base-Backbone interact. energy: -2.956
local terms energy: -217.350599
where:
bonds (distance) C4'-P energy: -40.629
bonds (distance) P-C4' energy: -47.685
flat angles C4'-P-C4' energy: -45.719
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -50.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -623.452106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.452106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.452106 (E_RNA)
where:
Base-Base interactions energy: -399.266
where: short stacking energy: -198.292
Base-Backbone interact. energy: -0.045
local terms energy: -224.141059
where:
bonds (distance) C4'-P energy: -44.372
bonds (distance) P-C4' energy: -45.730
flat angles C4'-P-C4' energy: -41.383
flat angles P-C4'-P energy: -34.734
tors. eta vs tors. theta energy: -57.921
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: 8
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -601.380498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.380498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.380498 (E_RNA)
where:
Base-Base interactions energy: -402.913
where: short stacking energy: -197.525
Base-Backbone interact. energy: -0.072
local terms energy: -198.395926
where:
bonds (distance) C4'-P energy: -37.990
bonds (distance) P-C4' energy: -42.647
flat angles C4'-P-C4' energy: -43.189
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -54.677
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: 411
Temperature: 1.050000
Total energy: -493.442229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.442229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.442229 (E_RNA)
where:
Base-Base interactions energy: -301.291
where: short stacking energy: -158.542
Base-Backbone interact. energy: 0.913
local terms energy: -193.064214
where:
bonds (distance) C4'-P energy: -39.546
bonds (distance) P-C4' energy: -38.215
flat angles C4'-P-C4' energy: -47.553
flat angles P-C4'-P energy: -27.681
tors. eta vs tors. theta energy: -40.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -519.547453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.547453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.547453 (E_RNA)
where:
Base-Base interactions energy: -334.156
where: short stacking energy: -154.222
Base-Backbone interact. energy: -0.184
local terms energy: -185.207068
where:
bonds (distance) C4'-P energy: -39.376
bonds (distance) P-C4' energy: -36.821
flat angles C4'-P-C4' energy: -39.099
flat angles P-C4'-P energy: -27.582
tors. eta vs tors. theta energy: -42.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -454.039802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.039802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.039802 (E_RNA)
where:
Base-Base interactions energy: -279.117
where: short stacking energy: -121.747
Base-Backbone interact. energy: -1.056
local terms energy: -173.866906
where:
bonds (distance) C4'-P energy: -38.759
bonds (distance) P-C4' energy: -40.031
flat angles C4'-P-C4' energy: -39.758
flat angles P-C4'-P energy: -30.223
tors. eta vs tors. theta energy: -25.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -319.313031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.313031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.313031 (E_RNA)
where:
Base-Base interactions energy: -164.313
where: short stacking energy: -96.958
Base-Backbone interact. energy: 0.406
local terms energy: -155.406618
where:
bonds (distance) C4'-P energy: -36.402
bonds (distance) P-C4' energy: -40.819
flat angles C4'-P-C4' energy: -32.143
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -24.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -227.566415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.566415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.566415 (E_RNA)
where:
Base-Base interactions energy: -94.500
where: short stacking energy: -63.312
Base-Backbone interact. energy: 0.542
local terms energy: -133.608334
where:
bonds (distance) C4'-P energy: -28.948
bonds (distance) P-C4' energy: -37.886
flat angles C4'-P-C4' energy: -29.328
flat angles P-C4'-P energy: -32.415
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -205.548298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.548298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.548298 (E_RNA)
where:
Base-Base interactions energy: -71.890
where: short stacking energy: -68.879
Base-Backbone interact. energy: 0.142
local terms energy: -133.799651
where:
bonds (distance) C4'-P energy: -38.301
bonds (distance) P-C4' energy: -39.268
flat angles C4'-P-C4' energy: -34.946
flat angles P-C4'-P energy: -20.615
tors. eta vs tors. theta energy: -0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -181.837665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.837665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.837665 (E_RNA)
where:
Base-Base interactions energy: -64.691
where: short stacking energy: -60.239
Base-Backbone interact. energy: 1.267
local terms energy: -118.413397
where:
bonds (distance) C4'-P energy: -37.908
bonds (distance) P-C4' energy: -34.951
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: 2.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -657.674032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.674032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.674032 (E_RNA)
where:
Base-Base interactions energy: -439.204
where: short stacking energy: -192.567
Base-Backbone interact. energy: -0.201
local terms energy: -218.268936
where:
bonds (distance) C4'-P energy: -46.735
bonds (distance) P-C4' energy: -41.509
flat angles C4'-P-C4' energy: -43.357
flat angles P-C4'-P energy: -34.794
tors. eta vs tors. theta energy: -51.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -627.402359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.402359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.402359 (E_RNA)
where:
Base-Base interactions energy: -406.484
where: short stacking energy: -191.653
Base-Backbone interact. energy: -0.622
local terms energy: -220.296046
where:
bonds (distance) C4'-P energy: -39.063
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -46.410
flat angles P-C4'-P energy: -33.477
tors. eta vs tors. theta energy: -54.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -624.151182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.151182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.151182 (E_RNA)
where:
Base-Base interactions energy: -411.524
where: short stacking energy: -203.480
Base-Backbone interact. energy: -0.247
local terms energy: -212.380016
where:
bonds (distance) C4'-P energy: -38.696
bonds (distance) P-C4' energy: -40.719
flat angles C4'-P-C4' energy: -43.976
flat angles P-C4'-P energy: -31.637
tors. eta vs tors. theta energy: -57.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -490.769282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.769282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.769282 (E_RNA)
where:
Base-Base interactions energy: -304.088
where: short stacking energy: -151.802
Base-Backbone interact. energy: -0.145
local terms energy: -186.536654
where:
bonds (distance) C4'-P energy: -35.631
bonds (distance) P-C4' energy: -42.204
flat angles C4'-P-C4' energy: -38.164
flat angles P-C4'-P energy: -24.266
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: 7
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -536.812189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.812189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.812189 (E_RNA)
where:
Base-Base interactions energy: -346.130
where: short stacking energy: -156.069
Base-Backbone interact. energy: 1.623
local terms energy: -192.305613
where:
bonds (distance) C4'-P energy: -42.806
bonds (distance) P-C4' energy: -36.876
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -27.760
tors. eta vs tors. theta energy: -46.729
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: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -454.696085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.696085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.696085 (E_RNA)
where:
Base-Base interactions energy: -269.573
where: short stacking energy: -127.822
Base-Backbone interact. energy: -0.798
local terms energy: -184.325509
where:
bonds (distance) C4'-P energy: -36.183
bonds (distance) P-C4' energy: -43.455
flat angles C4'-P-C4' energy: -44.841
flat angles P-C4'-P energy: -32.837
tors. eta vs tors. theta energy: -27.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -304.613757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.613757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.613757 (E_RNA)
where:
Base-Base interactions energy: -147.303
where: short stacking energy: -93.345
Base-Backbone interact. energy: -0.310
local terms energy: -157.001047
where:
bonds (distance) C4'-P energy: -38.400
bonds (distance) P-C4' energy: -46.832
flat angles C4'-P-C4' energy: -42.386
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: -6.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -214.475278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.475278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.475278 (E_RNA)
where:
Base-Base interactions energy: -81.779
where: short stacking energy: -68.791
Base-Backbone interact. energy: -0.007
local terms energy: -132.688774
where:
bonds (distance) C4'-P energy: -24.609
bonds (distance) P-C4' energy: -45.317
flat angles C4'-P-C4' energy: -33.475
flat angles P-C4'-P energy: -21.168
tors. eta vs tors. theta energy: -8.121
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: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -195.093360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.093360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.093360 (E_RNA)
where:
Base-Base interactions energy: -61.520
where: short stacking energy: -44.556
Base-Backbone interact. energy: 0.278
local terms energy: -133.851369
where:
bonds (distance) C4'-P energy: -40.675
bonds (distance) P-C4' energy: -39.199
flat angles C4'-P-C4' energy: -29.565
flat angles P-C4'-P energy: -18.896
tors. eta vs tors. theta energy: -5.517
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: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -181.823732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.823732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.823732 (E_RNA)
where:
Base-Base interactions energy: -63.802
where: short stacking energy: -51.491
Base-Backbone interact. energy: -1.691
local terms energy: -116.330932
where:
bonds (distance) C4'-P energy: -39.754
bonds (distance) P-C4' energy: -36.991
flat angles C4'-P-C4' energy: -26.303
flat angles P-C4'-P energy: -16.779
tors. eta vs tors. theta energy: 3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -658.054909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.054909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.054909 (E_RNA)
where:
Base-Base interactions energy: -443.071
where: short stacking energy: -195.943
Base-Backbone interact. energy: -0.500
local terms energy: -214.484513
where:
bonds (distance) C4'-P energy: -40.460
bonds (distance) P-C4' energy: -46.427
flat angles C4'-P-C4' energy: -51.788
flat angles P-C4'-P energy: -26.654
tors. eta vs tors. theta energy: -49.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -640.664860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.664860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.664860 (E_RNA)
where:
Base-Base interactions energy: -407.977
where: short stacking energy: -208.273
Base-Backbone interact. energy: -0.326
local terms energy: -232.361593
where:
bonds (distance) C4'-P energy: -45.473
bonds (distance) P-C4' energy: -44.754
flat angles C4'-P-C4' energy: -45.886
flat angles P-C4'-P energy: -33.597
tors. eta vs tors. theta energy: -62.652
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: 3, replica: 8
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -595.142489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.142489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.142489 (E_RNA)
where:
Base-Base interactions energy: -377.191
where: short stacking energy: -176.600
Base-Backbone interact. energy: -1.872
local terms energy: -216.079342
where:
bonds (distance) C4'-P energy: -41.646
bonds (distance) P-C4' energy: -46.730
flat angles C4'-P-C4' energy: -36.989
flat angles P-C4'-P energy: -38.382
tors. eta vs tors. theta energy: -52.333
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: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -548.626458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.626458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.626458 (E_RNA)
where:
Base-Base interactions energy: -358.672
where: short stacking energy: -163.923
Base-Backbone interact. energy: -0.067
local terms energy: -189.887144
where:
bonds (distance) C4'-P energy: -45.134
bonds (distance) P-C4' energy: -32.091
flat angles C4'-P-C4' energy: -44.290
flat angles P-C4'-P energy: -28.654
tors. eta vs tors. theta energy: -39.719
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: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -504.651167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.651167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.651167 (E_RNA)
where:
Base-Base interactions energy: -307.957
where: short stacking energy: -170.841
Base-Backbone interact. energy: -0.195
local terms energy: -196.498508
where:
bonds (distance) C4'-P energy: -40.110
bonds (distance) P-C4' energy: -41.527
flat angles C4'-P-C4' energy: -41.655
flat angles P-C4'-P energy: -28.017
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: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -452.864809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.864809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.864809 (E_RNA)
where:
Base-Base interactions energy: -269.405
where: short stacking energy: -138.748
Base-Backbone interact. energy: -0.324
local terms energy: -183.135873
where:
bonds (distance) C4'-P energy: -37.976
bonds (distance) P-C4' energy: -40.617
flat angles C4'-P-C4' energy: -39.668
flat angles P-C4'-P energy: -33.468
tors. eta vs tors. theta energy: -31.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -296.028740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.028740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.028740 (E_RNA)
where:
Base-Base interactions energy: -150.796
where: short stacking energy: -85.208
Base-Backbone interact. energy: 0.717
local terms energy: -145.950207
where:
bonds (distance) C4'-P energy: -26.705
bonds (distance) P-C4' energy: -49.817
flat angles C4'-P-C4' energy: -31.722
flat angles P-C4'-P energy: -22.511
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -215.455984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.455984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.455984 (E_RNA)
where:
Base-Base interactions energy: -86.989
where: short stacking energy: -54.658
Base-Backbone interact. energy: -0.580
local terms energy: -127.886818
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -42.039
flat angles C4'-P-C4' energy: -29.617
flat angles P-C4'-P energy: -28.097
tors. eta vs tors. theta energy: 0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -197.967573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.967573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.967573 (E_RNA)
where:
Base-Base interactions energy: -69.839
where: short stacking energy: -61.994
Base-Backbone interact. energy: -2.717
local terms energy: -125.411884
where:
bonds (distance) C4'-P energy: -32.838
bonds (distance) P-C4' energy: -31.197
flat angles C4'-P-C4' energy: -32.827
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -179.517137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.517137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.517137 (E_RNA)
where:
Base-Base interactions energy: -55.962
where: short stacking energy: -51.507
Base-Backbone interact. energy: 1.897
local terms energy: -125.452578
where:
bonds (distance) C4'-P energy: -37.607
bonds (distance) P-C4' energy: -38.734
flat angles C4'-P-C4' energy: -27.548
flat angles P-C4'-P energy: -23.051
tors. eta vs tors. theta energy: 1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -669.678711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.678711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.678711 (E_RNA)
where:
Base-Base interactions energy: -445.218
where: short stacking energy: -193.381
Base-Backbone interact. energy: -0.359
local terms energy: -224.101409
where:
bonds (distance) C4'-P energy: -42.136
bonds (distance) P-C4' energy: -49.900
flat angles C4'-P-C4' energy: -48.108
flat angles P-C4'-P energy: -30.812
tors. eta vs tors. theta energy: -53.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -635.700791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.700791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.700791 (E_RNA)
where:
Base-Base interactions energy: -402.555
where: short stacking energy: -203.626
Base-Backbone interact. energy: -0.193
local terms energy: -232.952819
where:
bonds (distance) C4'-P energy: -45.139
bonds (distance) P-C4' energy: -43.978
flat angles C4'-P-C4' energy: -49.415
flat angles P-C4'-P energy: -32.941
tors. eta vs tors. theta energy: -61.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -557.482502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.482502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.482502 (E_RNA)
where:
Base-Base interactions energy: -352.801
where: short stacking energy: -167.080
Base-Backbone interact. energy: -1.187
local terms energy: -203.494295
where:
bonds (distance) C4'-P energy: -44.906
bonds (distance) P-C4' energy: -43.361
flat angles C4'-P-C4' energy: -41.291
flat angles P-C4'-P energy: -20.861
tors. eta vs tors. theta energy: -53.075
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: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -568.919679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.919679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.919679 (E_RNA)
where:
Base-Base interactions energy: -382.041
where: short stacking energy: -189.986
Base-Backbone interact. energy: -0.253
local terms energy: -186.625954
where:
bonds (distance) C4'-P energy: -29.406
bonds (distance) P-C4' energy: -31.562
flat angles C4'-P-C4' energy: -42.334
flat angles P-C4'-P energy: -31.380
tors. eta vs tors. theta energy: -51.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -484.475610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.475610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.475610 (E_RNA)
where:
Base-Base interactions energy: -289.139
where: short stacking energy: -142.303
Base-Backbone interact. energy: -0.523
local terms energy: -194.813831
where:
bonds (distance) C4'-P energy: -40.786
bonds (distance) P-C4' energy: -42.876
flat angles C4'-P-C4' energy: -47.479
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -37.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -461.843018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.843018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.843018 (E_RNA)
where:
Base-Base interactions energy: -276.365
where: short stacking energy: -136.186
Base-Backbone interact. energy: -0.599
local terms energy: -184.878988
where:
bonds (distance) C4'-P energy: -30.414
bonds (distance) P-C4' energy: -45.223
flat angles C4'-P-C4' energy: -35.899
flat angles P-C4'-P energy: -28.762
tors. eta vs tors. theta energy: -44.581
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: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -310.524106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.524106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.524106 (E_RNA)
where:
Base-Base interactions energy: -161.026
where: short stacking energy: -101.297
Base-Backbone interact. energy: -1.641
local terms energy: -147.857329
where:
bonds (distance) C4'-P energy: -38.274
bonds (distance) P-C4' energy: -43.149
flat angles C4'-P-C4' energy: -35.329
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -13.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -212.586266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.586266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.586266 (E_RNA)
where:
Base-Base interactions energy: -77.238
where: short stacking energy: -71.022
Base-Backbone interact. energy: -0.164
local terms energy: -135.184169
where:
bonds (distance) C4'-P energy: -33.513
bonds (distance) P-C4' energy: -33.916
flat angles C4'-P-C4' energy: -39.387
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -1.893
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: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -193.782424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.782424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.782424 (E_RNA)
where:
Base-Base interactions energy: -60.288
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.952
local terms energy: -132.541524
where:
bonds (distance) C4'-P energy: -37.001
bonds (distance) P-C4' energy: -45.131
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -20.244
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: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -179.570661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.570661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.570661 (E_RNA)
where:
Base-Base interactions energy: -47.989
where: short stacking energy: -42.778
Base-Backbone interact. energy: 3.201
local terms energy: -134.782421
where:
bonds (distance) C4'-P energy: -34.981
bonds (distance) P-C4' energy: -43.928
flat angles C4'-P-C4' energy: -26.617
flat angles P-C4'-P energy: -30.808
tors. eta vs tors. theta energy: 1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -665.113745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.113745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.113745 (E_RNA)
where:
Base-Base interactions energy: -436.635
where: short stacking energy: -191.896
Base-Backbone interact. energy: 0.365
local terms energy: -228.843573
where:
bonds (distance) C4'-P energy: -42.450
bonds (distance) P-C4' energy: -47.724
flat angles C4'-P-C4' energy: -51.973
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -55.086
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: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -619.732089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.732089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.732089 (E_RNA)
where:
Base-Base interactions energy: -396.994
where: short stacking energy: -194.435
Base-Backbone interact. energy: -0.036
local terms energy: -222.701589
where:
bonds (distance) C4'-P energy: -40.439
bonds (distance) P-C4' energy: -43.489
flat angles C4'-P-C4' energy: -40.977
flat angles P-C4'-P energy: -32.295
tors. eta vs tors. theta energy: -65.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -563.137878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.137878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.137878 (E_RNA)
where:
Base-Base interactions energy: -359.719
where: short stacking energy: -163.283
Base-Backbone interact. energy: -0.977
local terms energy: -202.441788
where:
bonds (distance) C4'-P energy: -31.551
bonds (distance) P-C4' energy: -45.289
flat angles C4'-P-C4' energy: -43.991
flat angles P-C4'-P energy: -35.621
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: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -577.802650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.802650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.802650 (E_RNA)
where:
Base-Base interactions energy: -362.209
where: short stacking energy: -179.748
Base-Backbone interact. energy: -0.052
local terms energy: -215.541018
where:
bonds (distance) C4'-P energy: -44.837
bonds (distance) P-C4' energy: -50.151
flat angles C4'-P-C4' energy: -42.976
flat angles P-C4'-P energy: -27.871
tors. eta vs tors. theta energy: -49.706
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: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -490.018191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.018191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.018191 (E_RNA)
where:
Base-Base interactions energy: -303.970
where: short stacking energy: -148.232
Base-Backbone interact. energy: -0.440
local terms energy: -185.608425
where:
bonds (distance) C4'-P energy: -32.046
bonds (distance) P-C4' energy: -46.473
flat angles C4'-P-C4' energy: -41.085
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -37.811
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: 415
Temperature: 1.150000
Total energy: -453.465424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.465424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.465424 (E_RNA)
where:
Base-Base interactions energy: -277.718
where: short stacking energy: -128.195
Base-Backbone interact. energy: 0.664
local terms energy: -176.410943
where:
bonds (distance) C4'-P energy: -32.698
bonds (distance) P-C4' energy: -42.816
flat angles C4'-P-C4' energy: -40.998
flat angles P-C4'-P energy: -32.068
tors. eta vs tors. theta energy: -27.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -313.386477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.386477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.386477 (E_RNA)
where:
Base-Base interactions energy: -165.059
where: short stacking energy: -95.006
Base-Backbone interact. energy: -1.283
local terms energy: -147.044372
where:
bonds (distance) C4'-P energy: -38.605
bonds (distance) P-C4' energy: -37.375
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -13.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -220.110183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.110183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.110183 (E_RNA)
where:
Base-Base interactions energy: -78.005
where: short stacking energy: -66.521
Base-Backbone interact. energy: -0.516
local terms energy: -141.589280
where:
bonds (distance) C4'-P energy: -28.906
bonds (distance) P-C4' energy: -43.439
flat angles C4'-P-C4' energy: -44.755
flat angles P-C4'-P energy: -21.187
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -197.648765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.648765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.648765 (E_RNA)
where:
Base-Base interactions energy: -62.865
where: short stacking energy: -60.062
Base-Backbone interact. energy: -0.689
local terms energy: -134.093922
where:
bonds (distance) C4'-P energy: -30.712
bonds (distance) P-C4' energy: -41.357
flat angles C4'-P-C4' energy: -35.621
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -180.525265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.525265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.525265 (E_RNA)
where:
Base-Base interactions energy: -65.559
where: short stacking energy: -60.430
Base-Backbone interact. energy: 1.592
local terms energy: -116.557807
where:
bonds (distance) C4'-P energy: -35.657
bonds (distance) P-C4' energy: -33.438
flat angles C4'-P-C4' energy: -31.978
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -8.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -664.810467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.810467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.810467 (E_RNA)
where:
Base-Base interactions energy: -444.962
where: short stacking energy: -193.479
Base-Backbone interact. energy: -0.356
local terms energy: -219.491544
where:
bonds (distance) C4'-P energy: -44.523
bonds (distance) P-C4' energy: -43.923
flat angles C4'-P-C4' energy: -47.667
flat angles P-C4'-P energy: -29.444
tors. eta vs tors. theta energy: -53.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -620.960021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.960021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.960021 (E_RNA)
where:
Base-Base interactions energy: -401.733
where: short stacking energy: -208.219
Base-Backbone interact. energy: -0.579
local terms energy: -218.647415
where:
bonds (distance) C4'-P energy: -34.572
bonds (distance) P-C4' energy: -46.886
flat angles C4'-P-C4' energy: -43.414
flat angles P-C4'-P energy: -31.683
tors. eta vs tors. theta energy: -62.093
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: 8
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -594.739045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.739045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.739045 (E_RNA)
where:
Base-Base interactions energy: -371.730
where: short stacking energy: -184.247
Base-Backbone interact. energy: -0.154
local terms energy: -222.855051
where:
bonds (distance) C4'-P energy: -47.044
bonds (distance) P-C4' energy: -37.766
flat angles C4'-P-C4' energy: -46.904
flat angles P-C4'-P energy: -31.816
tors. eta vs tors. theta energy: -59.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -538.589021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.589021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.589021 (E_RNA)
where:
Base-Base interactions energy: -348.652
where: short stacking energy: -153.823
Base-Backbone interact. energy: -1.152
local terms energy: -188.785352
where:
bonds (distance) C4'-P energy: -39.795
bonds (distance) P-C4' energy: -41.653
flat angles C4'-P-C4' energy: -42.331
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: -33.848
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: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -465.304368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.304368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.304368 (E_RNA)
where:
Base-Base interactions energy: -275.086
where: short stacking energy: -130.389
Base-Backbone interact. energy: -0.494
local terms energy: -189.724892
where:
bonds (distance) C4'-P energy: -44.210
bonds (distance) P-C4' energy: -41.496
flat angles C4'-P-C4' energy: -35.757
flat angles P-C4'-P energy: -32.875
tors. eta vs tors. theta energy: -35.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -452.695635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.695635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.695635 (E_RNA)
where:
Base-Base interactions energy: -278.767
where: short stacking energy: -137.416
Base-Backbone interact. energy: -0.197
local terms energy: -173.731379
where:
bonds (distance) C4'-P energy: -32.141
bonds (distance) P-C4' energy: -37.020
flat angles C4'-P-C4' energy: -41.063
flat angles P-C4'-P energy: -26.385
tors. eta vs tors. theta energy: -37.122
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: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -327.388424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.388424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.388424 (E_RNA)
where:
Base-Base interactions energy: -174.798
where: short stacking energy: -96.489
Base-Backbone interact. energy: -0.520
local terms energy: -152.070198
where:
bonds (distance) C4'-P energy: -39.095
bonds (distance) P-C4' energy: -41.736
flat angles C4'-P-C4' energy: -33.585
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -227.848420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.848420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.848420 (E_RNA)
where:
Base-Base interactions energy: -90.524
where: short stacking energy: -85.452
Base-Backbone interact. energy: -0.524
local terms energy: -136.800236
where:
bonds (distance) C4'-P energy: -43.856
bonds (distance) P-C4' energy: -36.455
flat angles C4'-P-C4' energy: -31.151
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -12.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -202.117717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.117717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.117717 (E_RNA)
where:
Base-Base interactions energy: -73.966
where: short stacking energy: -66.090
Base-Backbone interact. energy: -1.568
local terms energy: -126.583656
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -39.426
flat angles C4'-P-C4' energy: -30.776
flat angles P-C4'-P energy: -19.076
tors. eta vs tors. theta energy: -7.494
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: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -175.234208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.234208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.234208 (E_RNA)
where:
Base-Base interactions energy: -49.497
where: short stacking energy: -43.859
Base-Backbone interact. energy: -0.633
local terms energy: -125.104222
where:
bonds (distance) C4'-P energy: -37.097
bonds (distance) P-C4' energy: -42.017
flat angles C4'-P-C4' energy: -23.905
flat angles P-C4'-P energy: -26.985
tors. eta vs tors. theta energy: 4.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -675.989928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.989928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.989928 (E_RNA)
where:
Base-Base interactions energy: -458.171
where: short stacking energy: -193.061
Base-Backbone interact. energy: -0.677
local terms energy: -217.142437
where:
bonds (distance) C4'-P energy: -43.931
bonds (distance) P-C4' energy: -45.638
flat angles C4'-P-C4' energy: -50.922
flat angles P-C4'-P energy: -27.713
tors. eta vs tors. theta energy: -48.939
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: 8
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -628.313178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.313178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.313178 (E_RNA)
where:
Base-Base interactions energy: -401.119
where: short stacking energy: -200.701
Base-Backbone interact. energy: -0.144
local terms energy: -227.049620
where:
bonds (distance) C4'-P energy: -42.666
bonds (distance) P-C4' energy: -41.792
flat angles C4'-P-C4' energy: -48.925
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: -61.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -600.698168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.698168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.698168 (E_RNA)
where:
Base-Base interactions energy: -385.656
where: short stacking energy: -173.392
Base-Backbone interact. energy: -0.141
local terms energy: -214.901405
where:
bonds (distance) C4'-P energy: -36.991
bonds (distance) P-C4' energy: -48.250
flat angles C4'-P-C4' energy: -51.565
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -51.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -564.829292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.829292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.829292 (E_RNA)
where:
Base-Base interactions energy: -363.411
where: short stacking energy: -170.500
Base-Backbone interact. energy: -0.556
local terms energy: -200.862000
where:
bonds (distance) C4'-P energy: -35.740
bonds (distance) P-C4' energy: -43.344
flat angles C4'-P-C4' energy: -45.949
flat angles P-C4'-P energy: -30.232
tors. eta vs tors. theta energy: -45.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -465.725192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.725192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.725192 (E_RNA)
where:
Base-Base interactions energy: -297.169
where: short stacking energy: -144.644
Base-Backbone interact. energy: 3.751
local terms energy: -172.307253
where:
bonds (distance) C4'-P energy: -28.332
bonds (distance) P-C4' energy: -45.450
flat angles C4'-P-C4' energy: -36.026
flat angles P-C4'-P energy: -26.691
tors. eta vs tors. theta energy: -35.808
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: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -459.209497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.209497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.209497 (E_RNA)
where:
Base-Base interactions energy: -278.721
where: short stacking energy: -142.578
Base-Backbone interact. energy: -0.636
local terms energy: -179.853035
where:
bonds (distance) C4'-P energy: -38.886
bonds (distance) P-C4' energy: -35.918
flat angles C4'-P-C4' energy: -45.175
flat angles P-C4'-P energy: -27.862
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: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -308.862768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.862768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.862768 (E_RNA)
where:
Base-Base interactions energy: -162.264
where: short stacking energy: -89.393
Base-Backbone interact. energy: 1.379
local terms energy: -147.977730
where:
bonds (distance) C4'-P energy: -38.018
bonds (distance) P-C4' energy: -40.941
flat angles C4'-P-C4' energy: -33.307
flat angles P-C4'-P energy: -24.421
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -216.169784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.169784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.169784 (E_RNA)
where:
Base-Base interactions energy: -86.546
where: short stacking energy: -73.607
Base-Backbone interact. energy: 0.992
local terms energy: -130.615190
where:
bonds (distance) C4'-P energy: -37.659
bonds (distance) P-C4' energy: -41.432
flat angles C4'-P-C4' energy: -25.474
flat angles P-C4'-P energy: -27.471
tors. eta vs tors. theta energy: 1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -184.093300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.093300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.093300 (E_RNA)
where:
Base-Base interactions energy: -58.978
where: short stacking energy: -48.292
Base-Backbone interact. energy: -0.797
local terms energy: -124.318449
where:
bonds (distance) C4'-P energy: -35.311
bonds (distance) P-C4' energy: -42.602
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: 3.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -175.342996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.342996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.342996 (E_RNA)
where:
Base-Base interactions energy: -66.499
where: short stacking energy: -59.162
Base-Backbone interact. energy: 0.037
local terms energy: -108.880221
where:
bonds (distance) C4'-P energy: -24.032
bonds (distance) P-C4' energy: -38.340
flat angles C4'-P-C4' energy: -33.277
flat angles P-C4'-P energy: -19.293
tors. eta vs tors. theta energy: 6.061
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: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -669.941589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.941589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.941589 (E_RNA)
where:
Base-Base interactions energy: -456.794
where: short stacking energy: -177.734
Base-Backbone interact. energy: -0.590
local terms energy: -212.557572
where:
bonds (distance) C4'-P energy: -44.805
bonds (distance) P-C4' energy: -45.439
flat angles C4'-P-C4' energy: -43.255
flat angles P-C4'-P energy: -29.642
tors. eta vs tors. theta energy: -49.417
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: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -633.512906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.512906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.512906 (E_RNA)
where:
Base-Base interactions energy: -405.465
where: short stacking energy: -195.031
Base-Backbone interact. energy: -0.041
local terms energy: -228.006138
where:
bonds (distance) C4'-P energy: -41.318
bonds (distance) P-C4' energy: -46.016
flat angles C4'-P-C4' energy: -46.616
flat angles P-C4'-P energy: -30.875
tors. eta vs tors. theta energy: -63.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -610.051944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.051944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.051944 (E_RNA)
where:
Base-Base interactions energy: -409.210
where: short stacking energy: -207.093
Base-Backbone interact. energy: -0.171
local terms energy: -200.671460
where:
bonds (distance) C4'-P energy: -35.709
bonds (distance) P-C4' energy: -37.828
flat angles C4'-P-C4' energy: -44.724
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: -53.601
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: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -560.042915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.042915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.042915 (E_RNA)
where:
Base-Base interactions energy: -370.122
where: short stacking energy: -169.716
Base-Backbone interact. energy: 0.021
local terms energy: -189.942515
where:
bonds (distance) C4'-P energy: -39.081
bonds (distance) P-C4' energy: -36.744
flat angles C4'-P-C4' energy: -40.349
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -50.340
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: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -465.358415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.358415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.358415 (E_RNA)
where:
Base-Base interactions energy: -287.869
where: short stacking energy: -125.767
Base-Backbone interact. energy: -0.346
local terms energy: -177.142973
where:
bonds (distance) C4'-P energy: -38.817
bonds (distance) P-C4' energy: -36.856
flat angles C4'-P-C4' energy: -46.081
flat angles P-C4'-P energy: -24.147
tors. eta vs tors. theta energy: -31.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -425.631607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.631607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.631607 (E_RNA)
where:
Base-Base interactions energy: -246.415
where: short stacking energy: -101.997
Base-Backbone interact. energy: -0.218
local terms energy: -178.998651
where:
bonds (distance) C4'-P energy: -40.273
bonds (distance) P-C4' energy: -46.865
flat angles C4'-P-C4' energy: -32.970
flat angles P-C4'-P energy: -32.123
tors. eta vs tors. theta energy: -26.767
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: 418
Temperature: 1.200000
Total energy: -313.398028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.398028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.398028 (E_RNA)
where:
Base-Base interactions energy: -159.829
where: short stacking energy: -88.595
Base-Backbone interact. energy: -1.245
local terms energy: -152.324504
where:
bonds (distance) C4'-P energy: -29.338
bonds (distance) P-C4' energy: -39.899
flat angles C4'-P-C4' energy: -42.510
flat angles P-C4'-P energy: -22.656
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -237.125828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.125828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.125828 (E_RNA)
where:
Base-Base interactions energy: -80.407
where: short stacking energy: -73.021
Base-Backbone interact. energy: -0.444
local terms energy: -156.274271
where:
bonds (distance) C4'-P energy: -39.704
bonds (distance) P-C4' energy: -38.103
flat angles C4'-P-C4' energy: -37.716
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -17.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -206.982028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.982028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.982028 (E_RNA)
where:
Base-Base interactions energy: -80.187
where: short stacking energy: -50.417
Base-Backbone interact. energy: -0.471
local terms energy: -126.324634
where:
bonds (distance) C4'-P energy: -34.321
bonds (distance) P-C4' energy: -31.272
flat angles C4'-P-C4' energy: -36.779
flat angles P-C4'-P energy: -18.849
tors. eta vs tors. theta energy: -5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -168.206837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.206837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.206837 (E_RNA)
where:
Base-Base interactions energy: -49.748
where: short stacking energy: -41.781
Base-Backbone interact. energy: -0.680
local terms energy: -117.779195
where:
bonds (distance) C4'-P energy: -24.364
bonds (distance) P-C4' energy: -41.464
flat angles C4'-P-C4' energy: -32.548
flat angles P-C4'-P energy: -26.043
tors. eta vs tors. theta energy: 6.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -663.661164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.661164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.661164 (E_RNA)
where:
Base-Base interactions energy: -449.796
where: short stacking energy: -194.248
Base-Backbone interact. energy: -1.110
local terms energy: -212.754730
where:
bonds (distance) C4'-P energy: -43.178
bonds (distance) P-C4' energy: -40.273
flat angles C4'-P-C4' energy: -46.802
flat angles P-C4'-P energy: -30.918
tors. eta vs tors. theta energy: -51.583
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: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -615.767475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.767475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.767475 (E_RNA)
where:
Base-Base interactions energy: -388.243
where: short stacking energy: -179.591
Base-Backbone interact. energy: -0.330
local terms energy: -227.194530
where:
bonds (distance) C4'-P energy: -44.046
bonds (distance) P-C4' energy: -45.429
flat angles C4'-P-C4' energy: -47.138
flat angles P-C4'-P energy: -39.017
tors. eta vs tors. theta energy: -51.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -619.849236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.849236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.849236 (E_RNA)
where:
Base-Base interactions energy: -394.243
where: short stacking energy: -191.118
Base-Backbone interact. energy: -0.173
local terms energy: -225.433435
where:
bonds (distance) C4'-P energy: -39.954
bonds (distance) P-C4' energy: -50.610
flat angles C4'-P-C4' energy: -46.351
flat angles P-C4'-P energy: -31.609
tors. eta vs tors. theta energy: -56.910
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: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -555.354227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.354227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.354227 (E_RNA)
where:
Base-Base interactions energy: -360.593
where: short stacking energy: -158.324
Base-Backbone interact. energy: -0.351
local terms energy: -194.410687
where:
bonds (distance) C4'-P energy: -38.612
bonds (distance) P-C4' energy: -44.348
flat angles C4'-P-C4' energy: -47.024
flat angles P-C4'-P energy: -26.785
tors. eta vs tors. theta energy: -37.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -464.759694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.759694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.759694 (E_RNA)
where:
Base-Base interactions energy: -283.189
where: short stacking energy: -132.692
Base-Backbone interact. energy: 6.783
local terms energy: -188.353723
where:
bonds (distance) C4'-P energy: -42.849
bonds (distance) P-C4' energy: -43.849
flat angles C4'-P-C4' energy: -40.718
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: -30.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -404.379859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.379859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.379859 (E_RNA)
where:
Base-Base interactions energy: -237.430
where: short stacking energy: -113.119
Base-Backbone interact. energy: -1.640
local terms energy: -165.309558
where:
bonds (distance) C4'-P energy: -34.822
bonds (distance) P-C4' energy: -41.877
flat angles C4'-P-C4' energy: -43.097
flat angles P-C4'-P energy: -27.314
tors. eta vs tors. theta energy: -18.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -298.372444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.372444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.372444 (E_RNA)
where:
Base-Base interactions energy: -152.135
where: short stacking energy: -86.773
Base-Backbone interact. energy: -1.085
local terms energy: -145.152922
where:
bonds (distance) C4'-P energy: -32.354
bonds (distance) P-C4' energy: -47.646
flat angles C4'-P-C4' energy: -34.415
flat angles P-C4'-P energy: -18.284
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -219.433661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.433661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.433661 (E_RNA)
where:
Base-Base interactions energy: -77.503
where: short stacking energy: -66.276
Base-Backbone interact. energy: 0.628
local terms energy: -142.558632
where:
bonds (distance) C4'-P energy: -41.035
bonds (distance) P-C4' energy: -42.001
flat angles C4'-P-C4' energy: -35.150
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -239.796019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.796019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.796019 (E_RNA)
where:
Base-Base interactions energy: -118.869
where: short stacking energy: -62.912
Base-Backbone interact. energy: -0.736
local terms energy: -120.191249
where:
bonds (distance) C4'-P energy: -39.136
bonds (distance) P-C4' energy: -32.956
flat angles C4'-P-C4' energy: -33.459
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: 4.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -186.648731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.648731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.648731 (E_RNA)
where:
Base-Base interactions energy: -56.762
where: short stacking energy: -46.081
Base-Backbone interact. energy: -0.830
local terms energy: -129.056375
where:
bonds (distance) C4'-P energy: -41.225
bonds (distance) P-C4' energy: -30.959
flat angles C4'-P-C4' energy: -33.091
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: 1.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -659.442003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.442003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.442003 (E_RNA)
where:
Base-Base interactions energy: -446.948
where: short stacking energy: -202.792
Base-Backbone interact. energy: -0.443
local terms energy: -212.050702
where:
bonds (distance) C4'-P energy: -39.196
bonds (distance) P-C4' energy: -38.653
flat angles C4'-P-C4' energy: -43.139
flat angles P-C4'-P energy: -33.300
tors. eta vs tors. theta energy: -57.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -619.151845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.151845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.151845 (E_RNA)
where:
Base-Base interactions energy: -396.234
where: short stacking energy: -188.653
Base-Backbone interact. energy: -0.229
local terms energy: -222.688070
where:
bonds (distance) C4'-P energy: -39.636
bonds (distance) P-C4' energy: -45.823
flat angles C4'-P-C4' energy: -45.837
flat angles P-C4'-P energy: -30.433
tors. eta vs tors. theta energy: -60.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -640.952451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.952451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.952451 (E_RNA)
where:
Base-Base interactions energy: -405.163
where: short stacking energy: -195.419
Base-Backbone interact. energy: -0.241
local terms energy: -235.547773
where:
bonds (distance) C4'-P energy: -50.906
bonds (distance) P-C4' energy: -44.519
flat angles C4'-P-C4' energy: -43.818
flat angles P-C4'-P energy: -35.885
tors. eta vs tors. theta energy: -60.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -608.318377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.318377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.318377 (E_RNA)
where:
Base-Base interactions energy: -392.007
where: short stacking energy: -187.949
Base-Backbone interact. energy: -1.207
local terms energy: -215.104642
where:
bonds (distance) C4'-P energy: -42.167
bonds (distance) P-C4' energy: -39.473
flat angles C4'-P-C4' energy: -48.054
flat angles P-C4'-P energy: -29.790
tors. eta vs tors. theta energy: -55.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -471.783647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.783647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.783647 (E_RNA)
where:
Base-Base interactions energy: -289.079
where: short stacking energy: -127.161
Base-Backbone interact. energy: -0.349
local terms energy: -182.356139
where:
bonds (distance) C4'-P energy: -41.146
bonds (distance) P-C4' energy: -39.232
flat angles C4'-P-C4' energy: -45.978
flat angles P-C4'-P energy: -27.042
tors. eta vs tors. theta energy: -28.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -449.841924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.841924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.841924 (E_RNA)
where:
Base-Base interactions energy: -263.615
where: short stacking energy: -117.274
Base-Backbone interact. energy: 0.330
local terms energy: -186.556869
where:
bonds (distance) C4'-P energy: -37.098
bonds (distance) P-C4' energy: -42.388
flat angles C4'-P-C4' energy: -44.925
flat angles P-C4'-P energy: -33.425
tors. eta vs tors. theta energy: -28.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -302.355656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.355656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.355656 (E_RNA)
where:
Base-Base interactions energy: -151.701
where: short stacking energy: -89.705
Base-Backbone interact. energy: 1.580
local terms energy: -152.234934
where:
bonds (distance) C4'-P energy: -39.397
bonds (distance) P-C4' energy: -37.708
flat angles C4'-P-C4' energy: -35.284
flat angles P-C4'-P energy: -23.861
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -215.148483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.148483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.148483 (E_RNA)
where:
Base-Base interactions energy: -77.066
where: short stacking energy: -54.078
Base-Backbone interact. energy: -1.021
local terms energy: -137.061220
where:
bonds (distance) C4'-P energy: -39.856
bonds (distance) P-C4' energy: -44.590
flat angles C4'-P-C4' energy: -33.340
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -187.742138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.742138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.742138 (E_RNA)
where:
Base-Base interactions energy: -58.922
where: short stacking energy: -56.004
Base-Backbone interact. energy: -0.837
local terms energy: -127.982963
where:
bonds (distance) C4'-P energy: -32.722
bonds (distance) P-C4' energy: -36.813
flat angles C4'-P-C4' energy: -38.254
flat angles P-C4'-P energy: -25.255
tors. eta vs tors. theta energy: 5.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -173.205650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.205650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.205650 (E_RNA)
where:
Base-Base interactions energy: -63.768
where: short stacking energy: -59.902
Base-Backbone interact. energy: -0.036
local terms energy: -109.401765
where:
bonds (distance) C4'-P energy: -33.731
bonds (distance) P-C4' energy: -34.433
flat angles C4'-P-C4' energy: -40.593
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: 9.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -646.345953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.345953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.345953 (E_RNA)
where:
Base-Base interactions energy: -423.387
where: short stacking energy: -185.844
Base-Backbone interact. energy: -1.538
local terms energy: -221.420244
where:
bonds (distance) C4'-P energy: -41.174
bonds (distance) P-C4' energy: -48.557
flat angles C4'-P-C4' energy: -44.129
flat angles P-C4'-P energy: -36.870
tors. eta vs tors. theta energy: -50.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -616.692916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.692916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.692916 (E_RNA)
where:
Base-Base interactions energy: -400.425
where: short stacking energy: -197.817
Base-Backbone interact. energy: 0.383
local terms energy: -216.651342
where:
bonds (distance) C4'-P energy: -38.900
bonds (distance) P-C4' energy: -46.264
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -35.557
tors. eta vs tors. theta energy: -55.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -607.152877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.152877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.152877 (E_RNA)
where:
Base-Base interactions energy: -402.093
where: short stacking energy: -194.702
Base-Backbone interact. energy: -0.053
local terms energy: -205.006779
where:
bonds (distance) C4'-P energy: -37.278
bonds (distance) P-C4' energy: -37.934
flat angles C4'-P-C4' energy: -40.182
flat angles P-C4'-P energy: -33.662
tors. eta vs tors. theta energy: -55.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -602.869959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.869959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.869959 (E_RNA)
where:
Base-Base interactions energy: -384.403
where: short stacking energy: -180.747
Base-Backbone interact. energy: -0.892
local terms energy: -217.575404
where:
bonds (distance) C4'-P energy: -36.986
bonds (distance) P-C4' energy: -47.316
flat angles C4'-P-C4' energy: -48.281
flat angles P-C4'-P energy: -30.719
tors. eta vs tors. theta energy: -54.274
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: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -491.823201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.823201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.823201 (E_RNA)
where:
Base-Base interactions energy: -322.535
where: short stacking energy: -158.392
Base-Backbone interact. energy: -0.469
local terms energy: -168.819582
where:
bonds (distance) C4'-P energy: -36.300
bonds (distance) P-C4' energy: -37.116
flat angles C4'-P-C4' energy: -35.780
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: -38.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -429.366714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.366714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.366714 (E_RNA)
where:
Base-Base interactions energy: -247.956
where: short stacking energy: -124.040
Base-Backbone interact. energy: -0.375
local terms energy: -181.035378
where:
bonds (distance) C4'-P energy: -34.267
bonds (distance) P-C4' energy: -43.524
flat angles C4'-P-C4' energy: -45.388
flat angles P-C4'-P energy: -27.961
tors. eta vs tors. theta energy: -29.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -297.191141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.191141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.191141 (E_RNA)
where:
Base-Base interactions energy: -147.961
where: short stacking energy: -64.565
Base-Backbone interact. energy: -0.602
local terms energy: -148.628279
where:
bonds (distance) C4'-P energy: -29.776
bonds (distance) P-C4' energy: -44.983
flat angles C4'-P-C4' energy: -32.816
flat angles P-C4'-P energy: -28.990
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -213.151156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.151156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.151156 (E_RNA)
where:
Base-Base interactions energy: -97.690
where: short stacking energy: -76.410
Base-Backbone interact. energy: -0.504
local terms energy: -114.956735
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -37.951
flat angles C4'-P-C4' energy: -37.477
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: 0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -181.842249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.842249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.842249 (E_RNA)
where:
Base-Base interactions energy: -63.199
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.534
local terms energy: -118.109215
where:
bonds (distance) C4'-P energy: -30.679
bonds (distance) P-C4' energy: -33.351
flat angles C4'-P-C4' energy: -29.791
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -9.495
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: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -171.514927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.514927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.514927 (E_RNA)
where:
Base-Base interactions energy: -51.324
where: short stacking energy: -42.809
Base-Backbone interact. energy: -1.474
local terms energy: -118.716477
where:
bonds (distance) C4'-P energy: -32.609
bonds (distance) P-C4' energy: -42.389
flat angles C4'-P-C4' energy: -31.640
flat angles P-C4'-P energy: -19.775
tors. eta vs tors. theta energy: 7.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -660.272698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.272698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.272698 (E_RNA)
where:
Base-Base interactions energy: -443.453
where: short stacking energy: -191.487
Base-Backbone interact. energy: -0.564
local terms energy: -216.256437
where:
bonds (distance) C4'-P energy: -45.535
bonds (distance) P-C4' energy: -47.355
flat angles C4'-P-C4' energy: -43.802
flat angles P-C4'-P energy: -29.252
tors. eta vs tors. theta energy: -50.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -622.289481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.289481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.289481 (E_RNA)
where:
Base-Base interactions energy: -393.330
where: short stacking energy: -190.732
Base-Backbone interact. energy: -0.192
local terms energy: -228.767825
where:
bonds (distance) C4'-P energy: -44.260
bonds (distance) P-C4' energy: -48.200
flat angles C4'-P-C4' energy: -45.058
flat angles P-C4'-P energy: -33.105
tors. eta vs tors. theta energy: -58.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -604.309660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.309660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.309660 (E_RNA)
where:
Base-Base interactions energy: -393.612
where: short stacking energy: -193.935
Base-Backbone interact. energy: 0.092
local terms energy: -210.789921
where:
bonds (distance) C4'-P energy: -31.048
bonds (distance) P-C4' energy: -39.634
flat angles C4'-P-C4' energy: -50.669
flat angles P-C4'-P energy: -31.363
tors. eta vs tors. theta energy: -58.076
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: 4, replica: 7
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -586.611811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.611811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.611811 (E_RNA)
where:
Base-Base interactions energy: -375.870
where: short stacking energy: -171.133
Base-Backbone interact. energy: -0.392
local terms energy: -210.350174
where:
bonds (distance) C4'-P energy: -38.281
bonds (distance) P-C4' energy: -39.687
flat angles C4'-P-C4' energy: -45.060
flat angles P-C4'-P energy: -28.763
tors. eta vs tors. theta energy: -58.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -470.972109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.972109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.972109 (E_RNA)
where:
Base-Base interactions energy: -283.636
where: short stacking energy: -142.670
Base-Backbone interact. energy: -0.005
local terms energy: -187.330756
where:
bonds (distance) C4'-P energy: -34.521
bonds (distance) P-C4' energy: -42.434
flat angles C4'-P-C4' energy: -43.265
flat angles P-C4'-P energy: -29.779
tors. eta vs tors. theta energy: -37.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -456.213705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.213705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.213705 (E_RNA)
where:
Base-Base interactions energy: -275.159
where: short stacking energy: -139.745
Base-Backbone interact. energy: 0.019
local terms energy: -181.074298
where:
bonds (distance) C4'-P energy: -38.831
bonds (distance) P-C4' energy: -34.668
flat angles C4'-P-C4' energy: -46.294
flat angles P-C4'-P energy: -24.247
tors. eta vs tors. theta energy: -37.033
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: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -325.892649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.892649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.892649 (E_RNA)
where:
Base-Base interactions energy: -182.346
where: short stacking energy: -100.650
Base-Backbone interact. energy: 0.160
local terms energy: -143.707442
where:
bonds (distance) C4'-P energy: -37.767
bonds (distance) P-C4' energy: -42.971
flat angles C4'-P-C4' energy: -35.135
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -12.017
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: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -229.026132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.026132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.026132 (E_RNA)
where:
Base-Base interactions energy: -87.310
where: short stacking energy: -83.946
Base-Backbone interact. energy: 3.066
local terms energy: -144.783057
where:
bonds (distance) C4'-P energy: -41.646
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -22.910
tors. eta vs tors. theta energy: -0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -198.375956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.375956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.375956 (E_RNA)
where:
Base-Base interactions energy: -80.911
where: short stacking energy: -66.720
Base-Backbone interact. energy: 0.110
local terms energy: -117.574238
where:
bonds (distance) C4'-P energy: -39.131
bonds (distance) P-C4' energy: -30.154
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -20.971
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: 10, replica: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -189.004654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.004654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.004654 (E_RNA)
where:
Base-Base interactions energy: -63.420
where: short stacking energy: -61.804
Base-Backbone interact. energy: -1.441
local terms energy: -124.144228
where:
bonds (distance) C4'-P energy: -37.823
bonds (distance) P-C4' energy: -33.007
flat angles C4'-P-C4' energy: -26.404
flat angles P-C4'-P energy: -20.217
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -649.158170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.158170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.158170 (E_RNA)
where:
Base-Base interactions energy: -437.896
where: short stacking energy: -186.062
Base-Backbone interact. energy: -3.619
local terms energy: -207.642879
where:
bonds (distance) C4'-P energy: -42.326
bonds (distance) P-C4' energy: -36.616
flat angles C4'-P-C4' energy: -49.984
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -55.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -620.827990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.827990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.827990 (E_RNA)
where:
Base-Base interactions energy: -392.174
where: short stacking energy: -192.803
Base-Backbone interact. energy: -1.513
local terms energy: -227.140794
where:
bonds (distance) C4'-P energy: -45.083
bonds (distance) P-C4' energy: -49.645
flat angles C4'-P-C4' energy: -45.909
flat angles P-C4'-P energy: -32.374
tors. eta vs tors. theta energy: -54.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -596.822270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.822270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.822270 (E_RNA)
where:
Base-Base interactions energy: -385.561
where: short stacking energy: -193.729
Base-Backbone interact. energy: 0.797
local terms energy: -212.058248
where:
bonds (distance) C4'-P energy: -47.627
bonds (distance) P-C4' energy: -35.210
flat angles C4'-P-C4' energy: -44.147
flat angles P-C4'-P energy: -29.440
tors. eta vs tors. theta energy: -55.634
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: 4, replica: 7
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -578.609386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.609386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.609386 (E_RNA)
where:
Base-Base interactions energy: -374.364
where: short stacking energy: -175.380
Base-Backbone interact. energy: -0.548
local terms energy: -203.697790
where:
bonds (distance) C4'-P energy: -47.674
bonds (distance) P-C4' energy: -41.389
flat angles C4'-P-C4' energy: -40.605
flat angles P-C4'-P energy: -27.537
tors. eta vs tors. theta energy: -46.493
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: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -508.166283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.166283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.166283 (E_RNA)
where:
Base-Base interactions energy: -316.141
where: short stacking energy: -152.975
Base-Backbone interact. energy: -0.342
local terms energy: -191.683201
where:
bonds (distance) C4'-P energy: -45.802
bonds (distance) P-C4' energy: -39.033
flat angles C4'-P-C4' energy: -42.611
flat angles P-C4'-P energy: -23.716
tors. eta vs tors. theta energy: -40.521
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: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -435.744455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.744455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.744455 (E_RNA)
where:
Base-Base interactions energy: -248.242
where: short stacking energy: -117.535
Base-Backbone interact. energy: -1.106
local terms energy: -186.396578
where:
bonds (distance) C4'-P energy: -35.977
bonds (distance) P-C4' energy: -46.354
flat angles C4'-P-C4' energy: -45.132
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -33.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -323.963886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.963886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.963886 (E_RNA)
where:
Base-Base interactions energy: -175.539
where: short stacking energy: -96.433
Base-Backbone interact. energy: -0.021
local terms energy: -148.403316
where:
bonds (distance) C4'-P energy: -43.860
bonds (distance) P-C4' energy: -41.458
flat angles C4'-P-C4' energy: -37.151
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -219.659985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.659985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.659985 (E_RNA)
where:
Base-Base interactions energy: -93.747
where: short stacking energy: -75.614
Base-Backbone interact. energy: -0.280
local terms energy: -125.632357
where:
bonds (distance) C4'-P energy: -35.376
bonds (distance) P-C4' energy: -31.901
flat angles C4'-P-C4' energy: -33.352
flat angles P-C4'-P energy: -21.931
tors. eta vs tors. theta energy: -3.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -209.755209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.755209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.755209 (E_RNA)
where:
Base-Base interactions energy: -96.699
where: short stacking energy: -75.801
Base-Backbone interact. energy: 3.734
local terms energy: -116.790311
where:
bonds (distance) C4'-P energy: -41.098
bonds (distance) P-C4' energy: -34.297
flat angles C4'-P-C4' energy: -27.265
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -2.855
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: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -181.776612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.776612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.776612 (E_RNA)
where:
Base-Base interactions energy: -56.445
where: short stacking energy: -41.483
Base-Backbone interact. energy: -0.403
local terms energy: -124.928098
where:
bonds (distance) C4'-P energy: -37.689
bonds (distance) P-C4' energy: -40.352
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -13.656
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: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -652.180727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.180727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.180727 (E_RNA)
where:
Base-Base interactions energy: -419.977
where: short stacking energy: -202.874
Base-Backbone interact. energy: -0.312
local terms energy: -231.891510
where:
bonds (distance) C4'-P energy: -43.982
bonds (distance) P-C4' energy: -46.063
flat angles C4'-P-C4' energy: -49.962
flat angles P-C4'-P energy: -34.434
tors. eta vs tors. theta energy: -57.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -640.367265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.367265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.367265 (E_RNA)
where:
Base-Base interactions energy: -417.828
where: short stacking energy: -186.495
Base-Backbone interact. energy: -1.097
local terms energy: -221.442580
where:
bonds (distance) C4'-P energy: -40.879
bonds (distance) P-C4' energy: -46.064
flat angles C4'-P-C4' energy: -44.430
flat angles P-C4'-P energy: -36.521
tors. eta vs tors. theta energy: -53.548
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: 8
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -613.450209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.450209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.450209 (E_RNA)
where:
Base-Base interactions energy: -397.166
where: short stacking energy: -209.085
Base-Backbone interact. energy: -0.968
local terms energy: -215.316477
where:
bonds (distance) C4'-P energy: -45.117
bonds (distance) P-C4' energy: -33.264
flat angles C4'-P-C4' energy: -48.159
flat angles P-C4'-P energy: -29.430
tors. eta vs tors. theta energy: -59.345
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: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -559.669425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.669425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.669425 (E_RNA)
where:
Base-Base interactions energy: -362.502
where: short stacking energy: -166.293
Base-Backbone interact. energy: 0.051
local terms energy: -197.218055
where:
bonds (distance) C4'-P energy: -40.524
bonds (distance) P-C4' energy: -42.398
flat angles C4'-P-C4' energy: -42.611
flat angles P-C4'-P energy: -27.427
tors. eta vs tors. theta energy: -44.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -493.543613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.543613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.543613 (E_RNA)
where:
Base-Base interactions energy: -307.118
where: short stacking energy: -159.080
Base-Backbone interact. energy: -0.706
local terms energy: -185.718878
where:
bonds (distance) C4'-P energy: -36.049
bonds (distance) P-C4' energy: -35.184
flat angles C4'-P-C4' energy: -47.150
flat angles P-C4'-P energy: -26.084
tors. eta vs tors. theta energy: -41.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -472.836020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.836020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.836020 (E_RNA)
where:
Base-Base interactions energy: -288.421
where: short stacking energy: -142.479
Base-Backbone interact. energy: -1.207
local terms energy: -183.208543
where:
bonds (distance) C4'-P energy: -38.834
bonds (distance) P-C4' energy: -49.152
flat angles C4'-P-C4' energy: -36.407
flat angles P-C4'-P energy: -25.233
tors. eta vs tors. theta energy: -33.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -292.468472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.468472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.468472 (E_RNA)
where:
Base-Base interactions energy: -146.665
where: short stacking energy: -78.173
Base-Backbone interact. energy: 1.551
local terms energy: -147.354981
where:
bonds (distance) C4'-P energy: -35.665
bonds (distance) P-C4' energy: -48.148
flat angles C4'-P-C4' energy: -29.168
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -215.110313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.110313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.110313 (E_RNA)
where:
Base-Base interactions energy: -83.806
where: short stacking energy: -79.455
Base-Backbone interact. energy: 0.756
local terms energy: -132.059716
where:
bonds (distance) C4'-P energy: -34.742
bonds (distance) P-C4' energy: -40.731
flat angles C4'-P-C4' energy: -31.662
flat angles P-C4'-P energy: -20.089
tors. eta vs tors. theta energy: -4.836
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: 6
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -211.935754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.935754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.935754 (E_RNA)
where:
Base-Base interactions energy: -100.272
where: short stacking energy: -68.146
Base-Backbone interact. energy: -0.806
local terms energy: -110.857233
where:
bonds (distance) C4'-P energy: -39.059
bonds (distance) P-C4' energy: -43.689
flat angles C4'-P-C4' energy: -24.228
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -0.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -174.831554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.831554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.831554 (E_RNA)
where:
Base-Base interactions energy: -42.124
where: short stacking energy: -42.023
Base-Backbone interact. energy: -0.638
local terms energy: -132.068956
where:
bonds (distance) C4'-P energy: -34.556
bonds (distance) P-C4' energy: -45.550
flat angles C4'-P-C4' energy: -38.768
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: 8.090
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: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -636.081135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.081135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.081135 (E_RNA)
where:
Base-Base interactions energy: -413.453
where: short stacking energy: -193.309
Base-Backbone interact. energy: -0.237
local terms energy: -222.390764
where:
bonds (distance) C4'-P energy: -43.236
bonds (distance) P-C4' energy: -42.522
flat angles C4'-P-C4' energy: -45.469
flat angles P-C4'-P energy: -33.700
tors. eta vs tors. theta energy: -57.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -636.545212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.545212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.545212 (E_RNA)
where:
Base-Base interactions energy: -416.773
where: short stacking energy: -191.274
Base-Backbone interact. energy: -0.925
local terms energy: -218.846554
where:
bonds (distance) C4'-P energy: -44.624
bonds (distance) P-C4' energy: -39.056
flat angles C4'-P-C4' energy: -47.139
flat angles P-C4'-P energy: -33.713
tors. eta vs tors. theta energy: -54.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -617.554101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.554101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.554101 (E_RNA)
where:
Base-Base interactions energy: -397.820
where: short stacking energy: -200.987
Base-Backbone interact. energy: -0.061
local terms energy: -219.673042
where:
bonds (distance) C4'-P energy: -32.943
bonds (distance) P-C4' energy: -39.677
flat angles C4'-P-C4' energy: -51.135
flat angles P-C4'-P energy: -33.349
tors. eta vs tors. theta energy: -62.568
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: 7
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -570.294966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.294966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.294966 (E_RNA)
where:
Base-Base interactions energy: -375.690
where: short stacking energy: -167.660
Base-Backbone interact. energy: -0.240
local terms energy: -194.365684
where:
bonds (distance) C4'-P energy: -35.923
bonds (distance) P-C4' energy: -40.889
flat angles C4'-P-C4' energy: -44.345
flat angles P-C4'-P energy: -30.862
tors. eta vs tors. theta energy: -42.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -495.152990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.152990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.152990 (E_RNA)
where:
Base-Base interactions energy: -314.576
where: short stacking energy: -157.640
Base-Backbone interact. energy: -0.100
local terms energy: -180.476781
where:
bonds (distance) C4'-P energy: -33.901
bonds (distance) P-C4' energy: -39.474
flat angles C4'-P-C4' energy: -42.971
flat angles P-C4'-P energy: -26.108
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: 4
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -460.660140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.660140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.660140 (E_RNA)
where:
Base-Base interactions energy: -288.230
where: short stacking energy: -143.771
Base-Backbone interact. energy: 0.835
local terms energy: -173.265951
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -42.172
flat angles C4'-P-C4' energy: -44.701
flat angles P-C4'-P energy: -33.940
tors. eta vs tors. theta energy: -35.042
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: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -312.905945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.905945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.905945 (E_RNA)
where:
Base-Base interactions energy: -150.196
where: short stacking energy: -86.174
Base-Backbone interact. energy: 3.151
local terms energy: -165.861368
where:
bonds (distance) C4'-P energy: -38.633
bonds (distance) P-C4' energy: -43.064
flat angles C4'-P-C4' energy: -36.504
flat angles P-C4'-P energy: -26.138
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -218.583498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.583498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.583498 (E_RNA)
where:
Base-Base interactions energy: -88.037
where: short stacking energy: -61.999
Base-Backbone interact. energy: -1.544
local terms energy: -129.002331
where:
bonds (distance) C4'-P energy: -33.504
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -34.661
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -187.057662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.057662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.057662 (E_RNA)
where:
Base-Base interactions energy: -60.975
where: short stacking energy: -59.633
Base-Backbone interact. energy: -0.210
local terms energy: -125.872331
where:
bonds (distance) C4'-P energy: -40.528
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -39.969
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -186.940102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.940102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.940102 (E_RNA)
where:
Base-Base interactions energy: -63.475
where: short stacking energy: -44.112
Base-Backbone interact. energy: 3.377
local terms energy: -126.841633
where:
bonds (distance) C4'-P energy: -47.194
bonds (distance) P-C4' energy: -33.489
flat angles C4'-P-C4' energy: -40.437
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: 9.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -675.325417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.325417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.325417 (E_RNA)
where:
Base-Base interactions energy: -465.781
where: short stacking energy: -209.911
Base-Backbone interact. energy: -1.152
local terms energy: -208.392056
where:
bonds (distance) C4'-P energy: -40.789
bonds (distance) P-C4' energy: -41.813
flat angles C4'-P-C4' energy: -44.088
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: -50.133
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: 5
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -625.967419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.967419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.967419 (E_RNA)
where:
Base-Base interactions energy: -398.923
where: short stacking energy: -204.051
Base-Backbone interact. energy: -0.321
local terms energy: -226.723612
where:
bonds (distance) C4'-P energy: -44.903
bonds (distance) P-C4' energy: -44.826
flat angles C4'-P-C4' energy: -45.261
flat angles P-C4'-P energy: -33.147
tors. eta vs tors. theta energy: -58.587
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: 8
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -629.142985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.142985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.142985 (E_RNA)
where:
Base-Base interactions energy: -401.934
where: short stacking energy: -203.050
Base-Backbone interact. energy: -0.328
local terms energy: -226.880612
where:
bonds (distance) C4'-P energy: -36.787
bonds (distance) P-C4' energy: -38.221
flat angles C4'-P-C4' energy: -48.773
flat angles P-C4'-P energy: -37.593
tors. eta vs tors. theta energy: -65.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -569.225925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.225925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.225925 (E_RNA)
where:
Base-Base interactions energy: -361.077
where: short stacking energy: -159.402
Base-Backbone interact. energy: -0.785
local terms energy: -207.363942
where:
bonds (distance) C4'-P energy: -34.424
bonds (distance) P-C4' energy: -40.896
flat angles C4'-P-C4' energy: -48.736
flat angles P-C4'-P energy: -32.870
tors. eta vs tors. theta energy: -50.438
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: 4
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -483.984597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.984597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.984597 (E_RNA)
where:
Base-Base interactions energy: -298.025
where: short stacking energy: -165.370
Base-Backbone interact. energy: -0.932
local terms energy: -185.027347
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -41.263
flat angles C4'-P-C4' energy: -47.058
flat angles P-C4'-P energy: -27.592
tors. eta vs tors. theta energy: -46.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -471.956120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.956120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.956120 (E_RNA)
where:
Base-Base interactions energy: -294.367
where: short stacking energy: -149.149
Base-Backbone interact. energy: -0.366
local terms energy: -177.223091
where:
bonds (distance) C4'-P energy: -38.519
bonds (distance) P-C4' energy: -36.423
flat angles C4'-P-C4' energy: -40.188
flat angles P-C4'-P energy: -23.366
tors. eta vs tors. theta energy: -38.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -342.689473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.689473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.689473 (E_RNA)
where:
Base-Base interactions energy: -183.520
where: short stacking energy: -80.403
Base-Backbone interact. energy: -2.659
local terms energy: -156.510367
where:
bonds (distance) C4'-P energy: -44.769
bonds (distance) P-C4' energy: -40.701
flat angles C4'-P-C4' energy: -44.460
flat angles P-C4'-P energy: -27.428
tors. eta vs tors. theta energy: 0.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -199.404808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.404808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.404808 (E_RNA)
where:
Base-Base interactions energy: -71.982
where: short stacking energy: -59.429
Base-Backbone interact. energy: 1.183
local terms energy: -128.605969
where:
bonds (distance) C4'-P energy: -34.293
bonds (distance) P-C4' energy: -33.103
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -20.097
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -199.966188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.966188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.966188 (E_RNA)
where:
Base-Base interactions energy: -73.103
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.511
local terms energy: -126.352425
where:
bonds (distance) C4'-P energy: -27.468
bonds (distance) P-C4' energy: -32.217
flat angles C4'-P-C4' energy: -42.450
flat angles P-C4'-P energy: -14.357
tors. eta vs tors. theta energy: -9.861
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: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -177.651614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.651614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.651614 (E_RNA)
where:
Base-Base interactions energy: -52.372
where: short stacking energy: -47.988
Base-Backbone interact. energy: -0.292
local terms energy: -124.987658
where:
bonds (distance) C4'-P energy: -35.025
bonds (distance) P-C4' energy: -31.109
flat angles C4'-P-C4' energy: -37.164
flat angles P-C4'-P energy: -18.786
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -658.028637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.028637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.028637 (E_RNA)
where:
Base-Base interactions energy: -443.152
where: short stacking energy: -198.056
Base-Backbone interact. energy: 0.217
local terms energy: -215.094117
where:
bonds (distance) C4'-P energy: -42.244
bonds (distance) P-C4' energy: -41.455
flat angles C4'-P-C4' energy: -48.071
flat angles P-C4'-P energy: -28.059
tors. eta vs tors. theta energy: -55.265
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: 5
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -611.949439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.949439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.949439 (E_RNA)
where:
Base-Base interactions energy: -380.145
where: short stacking energy: -193.294
Base-Backbone interact. energy: 0.608
local terms energy: -232.412913
where:
bonds (distance) C4'-P energy: -44.320
bonds (distance) P-C4' energy: -44.608
flat angles C4'-P-C4' energy: -50.485
flat angles P-C4'-P energy: -32.985
tors. eta vs tors. theta energy: -60.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -608.963989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.963989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.963989 (E_RNA)
where:
Base-Base interactions energy: -396.553
where: short stacking energy: -193.043
Base-Backbone interact. energy: -0.027
local terms energy: -212.384332
where:
bonds (distance) C4'-P energy: -44.486
bonds (distance) P-C4' energy: -36.069
flat angles C4'-P-C4' energy: -45.980
flat angles P-C4'-P energy: -25.994
tors. eta vs tors. theta energy: -59.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -544.627799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.627799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.627799 (E_RNA)
where:
Base-Base interactions energy: -351.795
where: short stacking energy: -163.688
Base-Backbone interact. energy: -0.155
local terms energy: -192.677879
where:
bonds (distance) C4'-P energy: -39.242
bonds (distance) P-C4' energy: -34.686
flat angles C4'-P-C4' energy: -40.688
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: -48.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -444.796527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.796527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.796527 (E_RNA)
where:
Base-Base interactions energy: -269.686
where: short stacking energy: -131.257
Base-Backbone interact. energy: -0.226
local terms energy: -174.884162
where:
bonds (distance) C4'-P energy: -33.595
bonds (distance) P-C4' energy: -42.622
flat angles C4'-P-C4' energy: -39.008
flat angles P-C4'-P energy: -28.967
tors. eta vs tors. theta energy: -30.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -417.335338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.335338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.335338 (E_RNA)
where:
Base-Base interactions energy: -243.087
where: short stacking energy: -115.961
Base-Backbone interact. energy: -0.675
local terms energy: -173.572718
where:
bonds (distance) C4'-P energy: -35.285
bonds (distance) P-C4' energy: -43.081
flat angles C4'-P-C4' energy: -43.411
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -26.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -370.219640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.219640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.219640 (E_RNA)
where:
Base-Base interactions energy: -210.127
where: short stacking energy: -100.165
Base-Backbone interact. energy: 0.335
local terms energy: -160.427499
where:
bonds (distance) C4'-P energy: -43.233
bonds (distance) P-C4' energy: -38.820
flat angles C4'-P-C4' energy: -39.927
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -224.301296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.301296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.301296 (E_RNA)
where:
Base-Base interactions energy: -86.056
where: short stacking energy: -58.499
Base-Backbone interact. energy: 0.780
local terms energy: -139.025175
where:
bonds (distance) C4'-P energy: -36.427
bonds (distance) P-C4' energy: -43.666
flat angles C4'-P-C4' energy: -27.078
flat angles P-C4'-P energy: -29.215
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: 9, replica: 9
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -203.138721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.138721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.138721 (E_RNA)
where:
Base-Base interactions energy: -68.044
where: short stacking energy: -62.034
Base-Backbone interact. energy: 1.903
local terms energy: -136.997677
where:
bonds (distance) C4'-P energy: -27.604
bonds (distance) P-C4' energy: -44.809
flat angles C4'-P-C4' energy: -36.845
flat angles P-C4'-P energy: -18.567
tors. eta vs tors. theta energy: -9.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -171.843865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.843865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.843865 (E_RNA)
where:
Base-Base interactions energy: -67.546
where: short stacking energy: -51.032
Base-Backbone interact. energy: -0.291
local terms energy: -104.006807
where:
bonds (distance) C4'-P energy: -31.786
bonds (distance) P-C4' energy: -34.423
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: 3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -667.936266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.936266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.936266 (E_RNA)
where:
Base-Base interactions energy: -440.381
where: short stacking energy: -205.119
Base-Backbone interact. energy: -0.862
local terms energy: -226.692399
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -45.774
flat angles C4'-P-C4' energy: -44.630
flat angles P-C4'-P energy: -34.058
tors. eta vs tors. theta energy: -63.198
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: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -625.336971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.336971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.336971 (E_RNA)
where:
Base-Base interactions energy: -402.704
where: short stacking energy: -187.766
Base-Backbone interact. energy: -0.133
local terms energy: -222.500568
where:
bonds (distance) C4'-P energy: -38.898
bonds (distance) P-C4' energy: -42.029
flat angles C4'-P-C4' energy: -48.907
flat angles P-C4'-P energy: -34.328
tors. eta vs tors. theta energy: -58.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -592.412767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.412767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.412767 (E_RNA)
where:
Base-Base interactions energy: -385.060
where: short stacking energy: -187.348
Base-Backbone interact. energy: -0.038
local terms energy: -207.314539
where:
bonds (distance) C4'-P energy: -35.626
bonds (distance) P-C4' energy: -42.439
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -28.498
tors. eta vs tors. theta energy: -59.677
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: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -563.076238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.076238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.076238 (E_RNA)
where:
Base-Base interactions energy: -366.713
where: short stacking energy: -181.661
Base-Backbone interact. energy: -0.665
local terms energy: -195.698583
where:
bonds (distance) C4'-P energy: -40.546
bonds (distance) P-C4' energy: -38.487
flat angles C4'-P-C4' energy: -36.347
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -53.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -461.580403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.580403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.580403 (E_RNA)
where:
Base-Base interactions energy: -279.652
where: short stacking energy: -153.566
Base-Backbone interact. energy: 0.300
local terms energy: -182.228006
where:
bonds (distance) C4'-P energy: -34.382
bonds (distance) P-C4' energy: -44.839
flat angles C4'-P-C4' energy: -45.156
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -41.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -418.018049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.018049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.018049 (E_RNA)
where:
Base-Base interactions energy: -252.275
where: short stacking energy: -121.256
Base-Backbone interact. energy: -0.835
local terms energy: -164.908722
where:
bonds (distance) C4'-P energy: -32.087
bonds (distance) P-C4' energy: -44.221
flat angles C4'-P-C4' energy: -35.518
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: -27.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -354.286651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.286651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.286651 (E_RNA)
where:
Base-Base interactions energy: -198.270
where: short stacking energy: -92.882
Base-Backbone interact. energy: -0.678
local terms energy: -155.339110
where:
bonds (distance) C4'-P energy: -37.180
bonds (distance) P-C4' energy: -44.179
flat angles C4'-P-C4' energy: -33.820
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -16.228
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: 2
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -205.179603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.179603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.179603 (E_RNA)
where:
Base-Base interactions energy: -80.791
where: short stacking energy: -59.049
Base-Backbone interact. energy: -1.796
local terms energy: -122.592561
where:
bonds (distance) C4'-P energy: -38.727
bonds (distance) P-C4' energy: -40.036
flat angles C4'-P-C4' energy: -32.778
flat angles P-C4'-P energy: -17.870
tors. eta vs tors. theta energy: 6.818
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: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -186.398418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.398418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.398418 (E_RNA)
where:
Base-Base interactions energy: -48.798
where: short stacking energy: -45.486
Base-Backbone interact. energy: -0.076
local terms energy: -137.524312
where:
bonds (distance) C4'-P energy: -41.672
bonds (distance) P-C4' energy: -40.922
flat angles C4'-P-C4' energy: -39.247
flat angles P-C4'-P energy: -19.626
tors. eta vs tors. theta energy: 3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -181.878203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.878203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.878203 (E_RNA)
where:
Base-Base interactions energy: -75.682
where: short stacking energy: -55.707
Base-Backbone interact. energy: -0.789
local terms energy: -105.407342
where:
bonds (distance) C4'-P energy: -27.403
bonds (distance) P-C4' energy: -35.909
flat angles C4'-P-C4' energy: -37.644
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -658.275333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.275333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.275333 (E_RNA)
where:
Base-Base interactions energy: -435.122
where: short stacking energy: -196.713
Base-Backbone interact. energy: -1.151
local terms energy: -222.002779
where:
bonds (distance) C4'-P energy: -43.657
bonds (distance) P-C4' energy: -48.893
flat angles C4'-P-C4' energy: -46.070
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: -49.675
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: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -638.676724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.676724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.676724 (E_RNA)
where:
Base-Base interactions energy: -401.152
where: short stacking energy: -201.815
Base-Backbone interact. energy: -3.387
local terms energy: -234.137137
where:
bonds (distance) C4'-P energy: -39.695
bonds (distance) P-C4' energy: -45.367
flat angles C4'-P-C4' energy: -51.852
flat angles P-C4'-P energy: -31.933
tors. eta vs tors. theta energy: -65.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -568.489074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.489074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.489074 (E_RNA)
where:
Base-Base interactions energy: -368.718
where: short stacking energy: -187.138
Base-Backbone interact. energy: 0.197
local terms energy: -199.968438
where:
bonds (distance) C4'-P energy: -32.106
bonds (distance) P-C4' energy: -39.699
flat angles C4'-P-C4' energy: -45.370
flat angles P-C4'-P energy: -31.492
tors. eta vs tors. theta energy: -51.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -593.134849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.134849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.134849 (E_RNA)
where:
Base-Base interactions energy: -372.758
where: short stacking energy: -168.845
Base-Backbone interact. energy: 0.154
local terms energy: -220.530105
where:
bonds (distance) C4'-P energy: -42.501
bonds (distance) P-C4' energy: -47.463
flat angles C4'-P-C4' energy: -44.311
flat angles P-C4'-P energy: -31.698
tors. eta vs tors. theta energy: -54.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -475.176104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.176104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.176104 (E_RNA)
where:
Base-Base interactions energy: -305.005
where: short stacking energy: -155.704
Base-Backbone interact. energy: 0.510
local terms energy: -170.681295
where:
bonds (distance) C4'-P energy: -39.897
bonds (distance) P-C4' energy: -32.846
flat angles C4'-P-C4' energy: -33.086
flat angles P-C4'-P energy: -27.014
tors. eta vs tors. theta energy: -37.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -410.911260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.911260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.911260 (E_RNA)
where:
Base-Base interactions energy: -246.844
where: short stacking energy: -122.155
Base-Backbone interact. energy: -0.498
local terms energy: -163.570126
where:
bonds (distance) C4'-P energy: -34.222
bonds (distance) P-C4' energy: -47.673
flat angles C4'-P-C4' energy: -37.100
flat angles P-C4'-P energy: -24.127
tors. eta vs tors. theta energy: -20.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -318.677280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.677280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.677280 (E_RNA)
where:
Base-Base interactions energy: -185.066
where: short stacking energy: -80.235
Base-Backbone interact. energy: -0.996
local terms energy: -132.615687
where:
bonds (distance) C4'-P energy: -41.211
bonds (distance) P-C4' energy: -41.450
flat angles C4'-P-C4' energy: -32.224
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -3.360
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: 2
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -235.599871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.599871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.599871 (E_RNA)
where:
Base-Base interactions energy: -84.482
where: short stacking energy: -79.250
Base-Backbone interact. energy: -0.545
local terms energy: -150.572740
where:
bonds (distance) C4'-P energy: -32.058
bonds (distance) P-C4' energy: -50.076
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -208.984589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.984589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.984589 (E_RNA)
where:
Base-Base interactions energy: -65.759
where: short stacking energy: -61.295
Base-Backbone interact. energy: -0.726
local terms energy: -142.498839
where:
bonds (distance) C4'-P energy: -38.001
bonds (distance) P-C4' energy: -42.093
flat angles C4'-P-C4' energy: -31.702
flat angles P-C4'-P energy: -18.833
tors. eta vs tors. theta energy: -11.870
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: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -187.820330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.820330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.820330 (E_RNA)
where:
Base-Base interactions energy: -56.055
where: short stacking energy: -49.742
Base-Backbone interact. energy: -1.220
local terms energy: -130.545444
where:
bonds (distance) C4'-P energy: -28.027
bonds (distance) P-C4' energy: -41.487
flat angles C4'-P-C4' energy: -30.358
flat angles P-C4'-P energy: -17.430
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -643.887957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.887957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.887957 (E_RNA)
where:
Base-Base interactions energy: -428.272
where: short stacking energy: -196.155
Base-Backbone interact. energy: -0.361
local terms energy: -215.254889
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -43.142
flat angles P-C4'-P energy: -35.317
tors. eta vs tors. theta energy: -53.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -640.019200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.019200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.019200 (E_RNA)
where:
Base-Base interactions energy: -404.049
where: short stacking energy: -199.215
Base-Backbone interact. energy: -1.024
local terms energy: -234.945384
where:
bonds (distance) C4'-P energy: -42.912
bonds (distance) P-C4' energy: -46.173
flat angles C4'-P-C4' energy: -44.772
flat angles P-C4'-P energy: -35.716
tors. eta vs tors. theta energy: -65.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -573.113032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.113032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.113032 (E_RNA)
where:
Base-Base interactions energy: -368.049
where: short stacking energy: -163.380
Base-Backbone interact. energy: -0.403
local terms energy: -204.660970
where:
bonds (distance) C4'-P energy: -41.006
bonds (distance) P-C4' energy: -38.589
flat angles C4'-P-C4' energy: -52.632
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: -49.256
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: 4, replica: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -546.643056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.643056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.643056 (E_RNA)
where:
Base-Base interactions energy: -363.444
where: short stacking energy: -164.010
Base-Backbone interact. energy: -0.920
local terms energy: -182.278814
where:
bonds (distance) C4'-P energy: -34.340
bonds (distance) P-C4' energy: -31.135
flat angles C4'-P-C4' energy: -44.325
flat angles P-C4'-P energy: -29.858
tors. eta vs tors. theta energy: -42.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -474.373908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.373908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.373908 (E_RNA)
where:
Base-Base interactions energy: -288.721
where: short stacking energy: -132.407
Base-Backbone interact. energy: -1.601
local terms energy: -184.052149
where:
bonds (distance) C4'-P energy: -27.201
bonds (distance) P-C4' energy: -47.026
flat angles C4'-P-C4' energy: -35.628
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -46.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -435.805094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.805094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.805094 (E_RNA)
where:
Base-Base interactions energy: -262.353
where: short stacking energy: -140.467
Base-Backbone interact. energy: -0.273
local terms energy: -173.179717
where:
bonds (distance) C4'-P energy: -28.903
bonds (distance) P-C4' energy: -38.931
flat angles C4'-P-C4' energy: -39.180
flat angles P-C4'-P energy: -27.248
tors. eta vs tors. theta energy: -38.919
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: 1
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -312.032004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.032004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.032004 (E_RNA)
where:
Base-Base interactions energy: -162.619
where: short stacking energy: -88.819
Base-Backbone interact. energy: 0.037
local terms energy: -149.449888
where:
bonds (distance) C4'-P energy: -47.111
bonds (distance) P-C4' energy: -40.053
flat angles C4'-P-C4' energy: -30.589
flat angles P-C4'-P energy: -20.732
tors. eta vs tors. theta energy: -10.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -245.391293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.391293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.391293 (E_RNA)
where:
Base-Base interactions energy: -91.663
where: short stacking energy: -77.859
Base-Backbone interact. energy: -0.655
local terms energy: -153.073555
where:
bonds (distance) C4'-P energy: -33.779
bonds (distance) P-C4' energy: -41.593
flat angles C4'-P-C4' energy: -43.163
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -8.765
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: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -193.383920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.383920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.383920 (E_RNA)
where:
Base-Base interactions energy: -65.116
where: short stacking energy: -49.810
Base-Backbone interact. energy: 1.677
local terms energy: -129.945241
where:
bonds (distance) C4'-P energy: -37.717
bonds (distance) P-C4' energy: -44.896
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -204.683496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.683496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.683496 (E_RNA)
where:
Base-Base interactions energy: -76.050
where: short stacking energy: -55.342
Base-Backbone interact. energy: -0.747
local terms energy: -127.886491
where:
bonds (distance) C4'-P energy: -41.369
bonds (distance) P-C4' energy: -41.149
flat angles C4'-P-C4' energy: -36.361
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -0.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -638.652900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.652900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.652900 (E_RNA)
where:
Base-Base interactions energy: -430.156
where: short stacking energy: -195.988
Base-Backbone interact. energy: -0.627
local terms energy: -207.869971
where:
bonds (distance) C4'-P energy: -44.359
bonds (distance) P-C4' energy: -37.621
flat angles C4'-P-C4' energy: -43.884
flat angles P-C4'-P energy: -26.734
tors. eta vs tors. theta energy: -55.272
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: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -618.514749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.514749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.514749 (E_RNA)
where:
Base-Base interactions energy: -402.447
where: short stacking energy: -195.603
Base-Backbone interact. energy: -0.151
local terms energy: -215.915985
where:
bonds (distance) C4'-P energy: -45.655
bonds (distance) P-C4' energy: -31.306
flat angles C4'-P-C4' energy: -48.656
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -56.377
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: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -599.365563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.365563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.365563 (E_RNA)
where:
Base-Base interactions energy: -390.659
where: short stacking energy: -174.329
Base-Backbone interact. energy: -0.240
local terms energy: -208.467111
where:
bonds (distance) C4'-P energy: -37.998
bonds (distance) P-C4' energy: -42.735
flat angles C4'-P-C4' energy: -47.204
flat angles P-C4'-P energy: -31.887
tors. eta vs tors. theta energy: -48.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -496.656248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.656248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.656248 (E_RNA)
where:
Base-Base interactions energy: -306.309
where: short stacking energy: -153.130
Base-Backbone interact. energy: 0.925
local terms energy: -191.272390
where:
bonds (distance) C4'-P energy: -40.808
bonds (distance) P-C4' energy: -45.726
flat angles C4'-P-C4' energy: -40.411
flat angles P-C4'-P energy: -24.174
tors. eta vs tors. theta energy: -40.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -466.865540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.865540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.865540 (E_RNA)
where:
Base-Base interactions energy: -270.984
where: short stacking energy: -130.404
Base-Backbone interact. energy: -0.396
local terms energy: -195.485953
where:
bonds (distance) C4'-P energy: -40.658
bonds (distance) P-C4' energy: -42.513
flat angles C4'-P-C4' energy: -43.908
flat angles P-C4'-P energy: -33.230
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: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -404.621483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.621483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.621483 (E_RNA)
where:
Base-Base interactions energy: -249.956
where: short stacking energy: -131.408
Base-Backbone interact. energy: -0.508
local terms energy: -154.157226
where:
bonds (distance) C4'-P energy: -34.352
bonds (distance) P-C4' energy: -31.856
flat angles C4'-P-C4' energy: -39.422
flat angles P-C4'-P energy: -22.128
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -260.485944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.485944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.485944 (E_RNA)
where:
Base-Base interactions energy: -126.089
where: short stacking energy: -79.034
Base-Backbone interact. energy: 1.061
local terms energy: -135.457767
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -32.744
flat angles C4'-P-C4' energy: -35.884
flat angles P-C4'-P energy: -18.422
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: 8, replica: 2
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -204.361143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.361143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.361143 (E_RNA)
where:
Base-Base interactions energy: -61.211
where: short stacking energy: -57.166
Base-Backbone interact. energy: -1.271
local terms energy: -141.879532
where:
bonds (distance) C4'-P energy: -36.002
bonds (distance) P-C4' energy: -41.424
flat angles C4'-P-C4' energy: -30.833
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: -5.647
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: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -193.257684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.257684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.257684 (E_RNA)
where:
Base-Base interactions energy: -71.655
where: short stacking energy: -61.207
Base-Backbone interact. energy: 0.186
local terms energy: -121.789085
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -37.490
flat angles C4'-P-C4' energy: -32.495
flat angles P-C4'-P energy: -25.502
tors. eta vs tors. theta energy: 4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -182.611946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.611946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.611946 (E_RNA)
where:
Base-Base interactions energy: -72.124
where: short stacking energy: -57.184
Base-Backbone interact. energy: 0.112
local terms energy: -110.599599
where:
bonds (distance) C4'-P energy: -40.409
bonds (distance) P-C4' energy: -25.018
flat angles C4'-P-C4' energy: -34.908
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: 3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -635.345515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.345515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.345515 (E_RNA)
where:
Base-Base interactions energy: -409.815
where: short stacking energy: -203.628
Base-Backbone interact. energy: -0.115
local terms energy: -225.415379
where:
bonds (distance) C4'-P energy: -40.030
bonds (distance) P-C4' energy: -49.613
flat angles C4'-P-C4' energy: -48.277
flat angles P-C4'-P energy: -30.292
tors. eta vs tors. theta energy: -57.204
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: 432
Temperature: 0.950000
Total energy: -663.692261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.692261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.692261 (E_RNA)
where:
Base-Base interactions energy: -441.472
where: short stacking energy: -194.568
Base-Backbone interact. energy: -0.663
local terms energy: -221.557697
where:
bonds (distance) C4'-P energy: -45.703
bonds (distance) P-C4' energy: -36.450
flat angles C4'-P-C4' energy: -50.319
flat angles P-C4'-P energy: -38.104
tors. eta vs tors. theta energy: -50.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -593.916763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.916763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.916763 (E_RNA)
where:
Base-Base interactions energy: -379.959
where: short stacking energy: -164.746
Base-Backbone interact. energy: 0.817
local terms energy: -214.774439
where:
bonds (distance) C4'-P energy: -49.561
bonds (distance) P-C4' energy: -47.663
flat angles C4'-P-C4' energy: -44.905
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -51.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -490.048521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.048521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.048521 (E_RNA)
where:
Base-Base interactions energy: -306.377
where: short stacking energy: -147.562
Base-Backbone interact. energy: -1.712
local terms energy: -181.960336
where:
bonds (distance) C4'-P energy: -32.663
bonds (distance) P-C4' energy: -45.819
flat angles C4'-P-C4' energy: -41.771
flat angles P-C4'-P energy: -28.760
tors. eta vs tors. theta energy: -32.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -414.847658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.847658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.847658 (E_RNA)
where:
Base-Base interactions energy: -261.229
where: short stacking energy: -127.787
Base-Backbone interact. energy: -0.252
local terms energy: -153.367169
where:
bonds (distance) C4'-P energy: -27.841
bonds (distance) P-C4' energy: -42.949
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -29.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -440.977897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.977897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.977897 (E_RNA)
where:
Base-Base interactions energy: -277.772
where: short stacking energy: -138.896
Base-Backbone interact. energy: 1.137
local terms energy: -164.342392
where:
bonds (distance) C4'-P energy: -34.178
bonds (distance) P-C4' energy: -40.795
flat angles C4'-P-C4' energy: -43.287
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -26.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -261.444229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.444229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.444229 (E_RNA)
where:
Base-Base interactions energy: -124.624
where: short stacking energy: -80.176
Base-Backbone interact. energy: -0.663
local terms energy: -136.157317
where:
bonds (distance) C4'-P energy: -33.421
bonds (distance) P-C4' energy: -38.784
flat angles C4'-P-C4' energy: -38.352
flat angles P-C4'-P energy: -18.043
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: 8, replica: 2
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -207.571473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.571473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.571473 (E_RNA)
where:
Base-Base interactions energy: -82.342
where: short stacking energy: -53.433
Base-Backbone interact. energy: 1.730
local terms energy: -126.959657
where:
bonds (distance) C4'-P energy: -39.022
bonds (distance) P-C4' energy: -39.721
flat angles C4'-P-C4' energy: -29.765
flat angles P-C4'-P energy: -19.887
tors. eta vs tors. theta energy: 1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -187.377287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.377287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.377287 (E_RNA)
where:
Base-Base interactions energy: -73.015
where: short stacking energy: -55.896
Base-Backbone interact. energy: 3.475
local terms energy: -117.837495
where:
bonds (distance) C4'-P energy: -34.816
bonds (distance) P-C4' energy: -40.964
flat angles C4'-P-C4' energy: -26.438
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -7.821
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: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -187.715163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.715163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.715163 (E_RNA)
where:
Base-Base interactions energy: -64.968
where: short stacking energy: -61.863
Base-Backbone interact. energy: -0.962
local terms energy: -121.785824
where:
bonds (distance) C4'-P energy: -34.517
bonds (distance) P-C4' energy: -31.525
flat angles C4'-P-C4' energy: -32.652
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -639.224814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.224814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.224814 (E_RNA)
where:
Base-Base interactions energy: -413.591
where: short stacking energy: -200.541
Base-Backbone interact. energy: -2.973
local terms energy: -222.661097
where:
bonds (distance) C4'-P energy: -40.545
bonds (distance) P-C4' energy: -48.165
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -28.558
tors. eta vs tors. theta energy: -62.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -631.508842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.508842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.508842 (E_RNA)
where:
Base-Base interactions energy: -424.376
where: short stacking energy: -185.329
Base-Backbone interact. energy: -0.901
local terms energy: -206.232130
where:
bonds (distance) C4'-P energy: -38.410
bonds (distance) P-C4' energy: -44.505
flat angles C4'-P-C4' energy: -40.522
flat angles P-C4'-P energy: -33.568
tors. eta vs tors. theta energy: -49.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -595.385331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.385331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.385331 (E_RNA)
where:
Base-Base interactions energy: -378.626
where: short stacking energy: -175.519
Base-Backbone interact. energy: 0.270
local terms energy: -217.029403
where:
bonds (distance) C4'-P energy: -36.207
bonds (distance) P-C4' energy: -48.949
flat angles C4'-P-C4' energy: -45.252
flat angles P-C4'-P energy: -31.120
tors. eta vs tors. theta energy: -55.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -522.362652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.362652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.362652 (E_RNA)
where:
Base-Base interactions energy: -319.694
where: short stacking energy: -168.700
Base-Backbone interact. energy: -0.347
local terms energy: -202.321131
where:
bonds (distance) C4'-P energy: -41.282
bonds (distance) P-C4' energy: -43.343
flat angles C4'-P-C4' energy: -47.776
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: -44.240
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: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -416.507792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.507792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.507792 (E_RNA)
where:
Base-Base interactions energy: -236.199
where: short stacking energy: -115.088
Base-Backbone interact. energy: -0.449
local terms energy: -179.858906
where:
bonds (distance) C4'-P energy: -37.927
bonds (distance) P-C4' energy: -43.986
flat angles C4'-P-C4' energy: -43.510
flat angles P-C4'-P energy: -29.501
tors. eta vs tors. theta energy: -24.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -425.480188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.480188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.480188 (E_RNA)
where:
Base-Base interactions energy: -258.341
where: short stacking energy: -126.566
Base-Backbone interact. energy: -0.572
local terms energy: -166.567176
where:
bonds (distance) C4'-P energy: -33.316
bonds (distance) P-C4' energy: -40.089
flat angles C4'-P-C4' energy: -34.014
flat angles P-C4'-P energy: -22.792
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: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -222.371169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.371169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.371169 (E_RNA)
where:
Base-Base interactions energy: -87.439
where: short stacking energy: -67.683
Base-Backbone interact. energy: -0.887
local terms energy: -134.045005
where:
bonds (distance) C4'-P energy: -33.353
bonds (distance) P-C4' energy: -43.246
flat angles C4'-P-C4' energy: -34.577
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -260.187477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.187477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.187477 (E_RNA)
where:
Base-Base interactions energy: -124.092
where: short stacking energy: -96.371
Base-Backbone interact. energy: 3.362
local terms energy: -139.457627
where:
bonds (distance) C4'-P energy: -33.582
bonds (distance) P-C4' energy: -36.312
flat angles C4'-P-C4' energy: -31.410
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -21.289
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: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -218.630624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.630624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.630624 (E_RNA)
where:
Base-Base interactions energy: -79.596
where: short stacking energy: -75.409
Base-Backbone interact. energy: -0.453
local terms energy: -138.581496
where:
bonds (distance) C4'-P energy: -26.246
bonds (distance) P-C4' energy: -45.004
flat angles C4'-P-C4' energy: -38.610
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -11.098
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: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -182.768119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.768119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.768119 (E_RNA)
where:
Base-Base interactions energy: -56.533
where: short stacking energy: -49.601
Base-Backbone interact. energy: 3.338
local terms energy: -129.573025
where:
bonds (distance) C4'-P energy: -40.595
bonds (distance) P-C4' energy: -43.698
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -21.206
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: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -638.020670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.020670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.020670 (E_RNA)
where:
Base-Base interactions energy: -409.610
where: short stacking energy: -197.967
Base-Backbone interact. energy: -0.364
local terms energy: -228.046886
where:
bonds (distance) C4'-P energy: -46.035
bonds (distance) P-C4' energy: -43.696
flat angles C4'-P-C4' energy: -45.890
flat angles P-C4'-P energy: -35.057
tors. eta vs tors. theta energy: -57.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -640.164890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.164890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.164890 (E_RNA)
where:
Base-Base interactions energy: -431.718
where: short stacking energy: -189.758
Base-Backbone interact. energy: 1.728
local terms energy: -210.174860
where:
bonds (distance) C4'-P energy: -40.458
bonds (distance) P-C4' energy: -42.839
flat angles C4'-P-C4' energy: -50.474
flat angles P-C4'-P energy: -27.750
tors. eta vs tors. theta energy: -48.654
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: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -568.582022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.582022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.582022 (E_RNA)
where:
Base-Base interactions energy: -374.217
where: short stacking energy: -186.299
Base-Backbone interact. energy: 1.221
local terms energy: -195.586572
where:
bonds (distance) C4'-P energy: -41.336
bonds (distance) P-C4' energy: -37.714
flat angles C4'-P-C4' energy: -44.289
flat angles P-C4'-P energy: -28.892
tors. eta vs tors. theta energy: -43.355
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: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -513.836589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.836589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.836589 (E_RNA)
where:
Base-Base interactions energy: -323.872
where: short stacking energy: -150.061
Base-Backbone interact. energy: -1.253
local terms energy: -188.712435
where:
bonds (distance) C4'-P energy: -34.599
bonds (distance) P-C4' energy: -38.213
flat angles C4'-P-C4' energy: -41.515
flat angles P-C4'-P energy: -36.049
tors. eta vs tors. theta energy: -38.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -430.244532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.244532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.244532 (E_RNA)
where:
Base-Base interactions energy: -270.204
where: short stacking energy: -129.568
Base-Backbone interact. energy: -1.246
local terms energy: -158.793818
where:
bonds (distance) C4'-P energy: -32.985
bonds (distance) P-C4' energy: -36.132
flat angles C4'-P-C4' energy: -32.845
flat angles P-C4'-P energy: -28.235
tors. eta vs tors. theta energy: -28.596
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: 434
Temperature: 1.150000
Total energy: -443.762868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.762868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.762868 (E_RNA)
where:
Base-Base interactions energy: -273.489
where: short stacking energy: -131.587
Base-Backbone interact. energy: 0.127
local terms energy: -170.400017
where:
bonds (distance) C4'-P energy: -30.831
bonds (distance) P-C4' energy: -37.038
flat angles C4'-P-C4' energy: -45.199
flat angles P-C4'-P energy: -30.560
tors. eta vs tors. theta energy: -26.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -252.051527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.051527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.051527 (E_RNA)
where:
Base-Base interactions energy: -110.232
where: short stacking energy: -77.937
Base-Backbone interact. energy: -0.484
local terms energy: -141.335388
where:
bonds (distance) C4'-P energy: -37.999
bonds (distance) P-C4' energy: -44.069
flat angles C4'-P-C4' energy: -34.240
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -12.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -200.975230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.975230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.975230 (E_RNA)
where:
Base-Base interactions energy: -73.811
where: short stacking energy: -66.357
Base-Backbone interact. energy: -0.575
local terms energy: -126.589859
where:
bonds (distance) C4'-P energy: -26.613
bonds (distance) P-C4' energy: -40.207
flat angles C4'-P-C4' energy: -33.040
flat angles P-C4'-P energy: -21.308
tors. eta vs tors. theta energy: -5.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -190.845689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.845689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.845689 (E_RNA)
where:
Base-Base interactions energy: -67.372
where: short stacking energy: -46.454
Base-Backbone interact. energy: -0.963
local terms energy: -122.511517
where:
bonds (distance) C4'-P energy: -35.121
bonds (distance) P-C4' energy: -40.452
flat angles C4'-P-C4' energy: -31.472
flat angles P-C4'-P energy: -18.865
tors. eta vs tors. theta energy: 3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -177.875260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.875260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.875260 (E_RNA)
where:
Base-Base interactions energy: -62.253
where: short stacking energy: -49.403
Base-Backbone interact. energy: -0.332
local terms energy: -115.290320
where:
bonds (distance) C4'-P energy: -24.424
bonds (distance) P-C4' energy: -37.920
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -22.502
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -659.882884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.882884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.882884 (E_RNA)
where:
Base-Base interactions energy: -418.273
where: short stacking energy: -208.443
Base-Backbone interact. energy: -0.126
local terms energy: -241.483316
where:
bonds (distance) C4'-P energy: -46.593
bonds (distance) P-C4' energy: -50.026
flat angles C4'-P-C4' energy: -48.821
flat angles P-C4'-P energy: -35.400
tors. eta vs tors. theta energy: -60.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -639.707534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.707534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.707534 (E_RNA)
where:
Base-Base interactions energy: -442.223
where: short stacking energy: -186.648
Base-Backbone interact. energy: -1.024
local terms energy: -196.459988
where:
bonds (distance) C4'-P energy: -42.458
bonds (distance) P-C4' energy: -35.192
flat angles C4'-P-C4' energy: -40.517
flat angles P-C4'-P energy: -29.935
tors. eta vs tors. theta energy: -48.358
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: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -580.249557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.249557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.249557 (E_RNA)
where:
Base-Base interactions energy: -384.723
where: short stacking energy: -189.228
Base-Backbone interact. energy: -0.530
local terms energy: -194.996271
where:
bonds (distance) C4'-P energy: -36.116
bonds (distance) P-C4' energy: -38.163
flat angles C4'-P-C4' energy: -46.459
flat angles P-C4'-P energy: -20.622
tors. eta vs tors. theta energy: -53.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -538.813583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.813583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.813583 (E_RNA)
where:
Base-Base interactions energy: -333.090
where: short stacking energy: -171.590
Base-Backbone interact. energy: -1.216
local terms energy: -204.507595
where:
bonds (distance) C4'-P energy: -47.316
bonds (distance) P-C4' energy: -35.169
flat angles C4'-P-C4' energy: -47.480
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -47.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -440.353185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.353185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.353185 (E_RNA)
where:
Base-Base interactions energy: -249.092
where: short stacking energy: -129.199
Base-Backbone interact. energy: -0.681
local terms energy: -190.579781
where:
bonds (distance) C4'-P energy: -38.501
bonds (distance) P-C4' energy: -44.328
flat angles C4'-P-C4' energy: -47.750
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -35.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -468.775247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.775247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.775247 (E_RNA)
where:
Base-Base interactions energy: -280.975
where: short stacking energy: -148.597
Base-Backbone interact. energy: -1.567
local terms energy: -186.232997
where:
bonds (distance) C4'-P energy: -48.605
bonds (distance) P-C4' energy: -37.182
flat angles C4'-P-C4' energy: -36.735
flat angles P-C4'-P energy: -28.013
tors. eta vs tors. theta energy: -35.697
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: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -225.417630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.417630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.417630 (E_RNA)
where:
Base-Base interactions energy: -91.616
where: short stacking energy: -78.794
Base-Backbone interact. energy: -0.074
local terms energy: -133.726937
where:
bonds (distance) C4'-P energy: -37.648
bonds (distance) P-C4' energy: -34.353
flat angles C4'-P-C4' energy: -35.162
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -6.450
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: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -207.405308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.405308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.405308 (E_RNA)
where:
Base-Base interactions energy: -68.862
where: short stacking energy: -64.000
Base-Backbone interact. energy: -1.205
local terms energy: -137.338458
where:
bonds (distance) C4'-P energy: -44.609
bonds (distance) P-C4' energy: -37.742
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -4.184
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: 2
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -186.449705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.449705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.449705 (E_RNA)
where:
Base-Base interactions energy: -71.559
where: short stacking energy: -53.170
Base-Backbone interact. energy: -0.872
local terms energy: -114.019589
where:
bonds (distance) C4'-P energy: -31.169
bonds (distance) P-C4' energy: -39.434
flat angles C4'-P-C4' energy: -25.126
flat angles P-C4'-P energy: -26.493
tors. eta vs tors. theta energy: 8.202
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: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -176.809024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.809024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.809024 (E_RNA)
where:
Base-Base interactions energy: -55.494
where: short stacking energy: -52.313
Base-Backbone interact. energy: 2.964
local terms energy: -124.278970
where:
bonds (distance) C4'-P energy: -27.249
bonds (distance) P-C4' energy: -35.084
flat angles C4'-P-C4' energy: -33.872
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -654.942884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.942884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.942884 (E_RNA)
where:
Base-Base interactions energy: -437.039
where: short stacking energy: -212.616
Base-Backbone interact. energy: -0.686
local terms energy: -217.218145
where:
bonds (distance) C4'-P energy: -41.677
bonds (distance) P-C4' energy: -43.996
flat angles C4'-P-C4' energy: -45.027
flat angles P-C4'-P energy: -24.749
tors. eta vs tors. theta energy: -61.768
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: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -635.952671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.952671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.952671 (E_RNA)
where:
Base-Base interactions energy: -431.649
where: short stacking energy: -169.035
Base-Backbone interact. energy: 1.251
local terms energy: -205.554807
where:
bonds (distance) C4'-P energy: -42.992
bonds (distance) P-C4' energy: -48.969
flat angles C4'-P-C4' energy: -44.042
flat angles P-C4'-P energy: -27.822
tors. eta vs tors. theta energy: -41.729
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: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -579.757093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.757093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.757093 (E_RNA)
where:
Base-Base interactions energy: -377.923
where: short stacking energy: -157.036
Base-Backbone interact. energy: 1.680
local terms energy: -203.513762
where:
bonds (distance) C4'-P energy: -35.928
bonds (distance) P-C4' energy: -43.305
flat angles C4'-P-C4' energy: -47.239
flat angles P-C4'-P energy: -33.948
tors. eta vs tors. theta energy: -43.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -535.757087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.757087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.757087 (E_RNA)
where:
Base-Base interactions energy: -336.431
where: short stacking energy: -176.400
Base-Backbone interact. energy: 1.743
local terms energy: -201.068583
where:
bonds (distance) C4'-P energy: -38.262
bonds (distance) P-C4' energy: -39.246
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -24.653
tors. eta vs tors. theta energy: -46.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -435.122726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.122726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.122726 (E_RNA)
where:
Base-Base interactions energy: -255.687
where: short stacking energy: -144.625
Base-Backbone interact. energy: -1.207
local terms energy: -178.227814
where:
bonds (distance) C4'-P energy: -37.427
bonds (distance) P-C4' energy: -44.797
flat angles C4'-P-C4' energy: -43.226
flat angles P-C4'-P energy: -18.154
tors. eta vs tors. theta energy: -34.624
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: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -443.497273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.497273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.497273 (E_RNA)
where:
Base-Base interactions energy: -269.045
where: short stacking energy: -139.010
Base-Backbone interact. energy: -0.427
local terms energy: -174.025129
where:
bonds (distance) C4'-P energy: -40.224
bonds (distance) P-C4' energy: -38.268
flat angles C4'-P-C4' energy: -39.463
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -32.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -346.621222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.621222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.621222 (E_RNA)
where:
Base-Base interactions energy: -186.349
where: short stacking energy: -95.024
Base-Backbone interact. energy: -0.244
local terms energy: -160.027902
where:
bonds (distance) C4'-P energy: -38.997
bonds (distance) P-C4' energy: -31.511
flat angles C4'-P-C4' energy: -47.184
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -209.063904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.063904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.063904 (E_RNA)
where:
Base-Base interactions energy: -75.792
where: short stacking energy: -67.539
Base-Backbone interact. energy: 0.528
local terms energy: -133.800214
where:
bonds (distance) C4'-P energy: -34.607
bonds (distance) P-C4' energy: -41.240
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -5.827
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: 436
Temperature: 1.300000
Total energy: -203.195537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.195537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.195537 (E_RNA)
where:
Base-Base interactions energy: -66.981
where: short stacking energy: -49.741
Base-Backbone interact. energy: 0.258
local terms energy: -136.472115
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -45.942
flat angles C4'-P-C4' energy: -42.289
flat angles P-C4'-P energy: -17.429
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: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -174.678786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.678786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.678786 (E_RNA)
where:
Base-Base interactions energy: -62.761
where: short stacking energy: -55.722
Base-Backbone interact. energy: -1.080
local terms energy: -110.837711
where:
bonds (distance) C4'-P energy: -41.628
bonds (distance) P-C4' energy: -22.100
flat angles C4'-P-C4' energy: -32.544
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: 6.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -658.233913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.233913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.233913 (E_RNA)
where:
Base-Base interactions energy: -424.972
where: short stacking energy: -216.095
Base-Backbone interact. energy: -0.421
local terms energy: -232.841371
where:
bonds (distance) C4'-P energy: -41.858
bonds (distance) P-C4' energy: -45.614
flat angles C4'-P-C4' energy: -55.142
flat angles P-C4'-P energy: -30.142
tors. eta vs tors. theta energy: -60.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -653.615564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.615564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.615564 (E_RNA)
where:
Base-Base interactions energy: -444.642
where: short stacking energy: -178.362
Base-Backbone interact. energy: -2.552
local terms energy: -206.421920
where:
bonds (distance) C4'-P energy: -39.736
bonds (distance) P-C4' energy: -45.854
flat angles C4'-P-C4' energy: -43.752
flat angles P-C4'-P energy: -33.704
tors. eta vs tors. theta energy: -43.377
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: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -601.191530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.191530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.191530 (E_RNA)
where:
Base-Base interactions energy: -388.815
where: short stacking energy: -188.084
Base-Backbone interact. energy: -0.629
local terms energy: -211.747683
where:
bonds (distance) C4'-P energy: -42.965
bonds (distance) P-C4' energy: -39.488
flat angles C4'-P-C4' energy: -41.802
flat angles P-C4'-P energy: -31.414
tors. eta vs tors. theta energy: -56.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -516.432897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.432897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.432897 (E_RNA)
where:
Base-Base interactions energy: -325.144
where: short stacking energy: -164.331
Base-Backbone interact. energy: -0.450
local terms energy: -190.838824
where:
bonds (distance) C4'-P energy: -38.192
bonds (distance) P-C4' energy: -36.124
flat angles C4'-P-C4' energy: -44.408
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -39.616
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: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -440.151071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.151071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.151071 (E_RNA)
where:
Base-Base interactions energy: -258.383
where: short stacking energy: -128.578
Base-Backbone interact. energy: -0.382
local terms energy: -181.386307
where:
bonds (distance) C4'-P energy: -42.976
bonds (distance) P-C4' energy: -38.278
flat angles C4'-P-C4' energy: -42.099
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -36.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -403.809754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.809754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.809754 (E_RNA)
where:
Base-Base interactions energy: -236.397
where: short stacking energy: -125.177
Base-Backbone interact. energy: -0.472
local terms energy: -166.941405
where:
bonds (distance) C4'-P energy: -32.925
bonds (distance) P-C4' energy: -32.131
flat angles C4'-P-C4' energy: -45.147
flat angles P-C4'-P energy: -24.177
tors. eta vs tors. theta energy: -32.561
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: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -418.810087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.810087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.810087 (E_RNA)
where:
Base-Base interactions energy: -245.233
where: short stacking energy: -116.142
Base-Backbone interact. energy: 0.910
local terms energy: -174.487099
where:
bonds (distance) C4'-P energy: -41.815
bonds (distance) P-C4' energy: -33.246
flat angles C4'-P-C4' energy: -43.167
flat angles P-C4'-P energy: -27.734
tors. eta vs tors. theta energy: -28.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -215.661251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.661251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.661251 (E_RNA)
where:
Base-Base interactions energy: -78.072
where: short stacking energy: -79.973
Base-Backbone interact. energy: -0.390
local terms energy: -137.198746
where:
bonds (distance) C4'-P energy: -39.642
bonds (distance) P-C4' energy: -30.956
flat angles C4'-P-C4' energy: -36.991
flat angles P-C4'-P energy: -19.630
tors. eta vs tors. theta energy: -9.980
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: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -197.313931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.313931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.313931 (E_RNA)
where:
Base-Base interactions energy: -79.802
where: short stacking energy: -54.619
Base-Backbone interact. energy: 0.006
local terms energy: -117.517552
where:
bonds (distance) C4'-P energy: -31.886
bonds (distance) P-C4' energy: -33.812
flat angles C4'-P-C4' energy: -29.063
flat angles P-C4'-P energy: -29.261
tors. eta vs tors. theta energy: 6.504
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: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -189.219169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.219169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.219169 (E_RNA)
where:
Base-Base interactions energy: -55.371
where: short stacking energy: -44.835
Base-Backbone interact. energy: -0.711
local terms energy: -133.137397
where:
bonds (distance) C4'-P energy: -40.342
bonds (distance) P-C4' energy: -35.106
flat angles C4'-P-C4' energy: -31.280
flat angles P-C4'-P energy: -25.954
tors. eta vs tors. theta energy: -0.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -670.969192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.969192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.969192 (E_RNA)
where:
Base-Base interactions energy: -452.224
where: short stacking energy: -201.667
Base-Backbone interact. energy: -1.199
local terms energy: -217.546576
where:
bonds (distance) C4'-P energy: -44.864
bonds (distance) P-C4' energy: -39.729
flat angles C4'-P-C4' energy: -42.757
flat angles P-C4'-P energy: -35.926
tors. eta vs tors. theta energy: -54.271
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: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -637.568183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.568183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.568183 (E_RNA)
where:
Base-Base interactions energy: -427.927
where: short stacking energy: -201.506
Base-Backbone interact. energy: 2.535
local terms energy: -212.175573
where:
bonds (distance) C4'-P energy: -37.813
bonds (distance) P-C4' energy: -34.819
flat angles C4'-P-C4' energy: -48.502
flat angles P-C4'-P energy: -29.876
tors. eta vs tors. theta energy: -61.166
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: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -603.228969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.228969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.228969 (E_RNA)
where:
Base-Base interactions energy: -389.538
where: short stacking energy: -195.144
Base-Backbone interact. energy: -0.271
local terms energy: -213.420813
where:
bonds (distance) C4'-P energy: -29.657
bonds (distance) P-C4' energy: -45.212
flat angles C4'-P-C4' energy: -48.910
flat angles P-C4'-P energy: -31.696
tors. eta vs tors. theta energy: -57.946
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: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -512.941817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.941817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.941817 (E_RNA)
where:
Base-Base interactions energy: -318.141
where: short stacking energy: -167.863
Base-Backbone interact. energy: 0.596
local terms energy: -195.396624
where:
bonds (distance) C4'-P energy: -33.565
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -51.278
flat angles P-C4'-P energy: -30.028
tors. eta vs tors. theta energy: -42.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -402.346569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.346569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.346569 (E_RNA)
where:
Base-Base interactions energy: -228.663
where: short stacking energy: -112.957
Base-Backbone interact. energy: -1.011
local terms energy: -172.671708
where:
bonds (distance) C4'-P energy: -36.381
bonds (distance) P-C4' energy: -44.045
flat angles C4'-P-C4' energy: -43.921
flat angles P-C4'-P energy: -26.722
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -414.588720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.588720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.588720 (E_RNA)
where:
Base-Base interactions energy: -238.049
where: short stacking energy: -123.250
Base-Backbone interact. energy: -1.035
local terms energy: -175.505163
where:
bonds (distance) C4'-P energy: -43.443
bonds (distance) P-C4' energy: -33.568
flat angles C4'-P-C4' energy: -40.261
flat angles P-C4'-P energy: -24.042
tors. eta vs tors. theta energy: -34.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -413.640020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.640020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.640020 (E_RNA)
where:
Base-Base interactions energy: -256.874
where: short stacking energy: -115.727
Base-Backbone interact. energy: -0.727
local terms energy: -156.038879
where:
bonds (distance) C4'-P energy: -32.557
bonds (distance) P-C4' energy: -43.346
flat angles C4'-P-C4' energy: -32.183
flat angles P-C4'-P energy: -24.426
tors. eta vs tors. theta energy: -23.526
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: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -196.703419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.703419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.703419 (E_RNA)
where:
Base-Base interactions energy: -68.573
where: short stacking energy: -62.704
Base-Backbone interact. energy: 1.771
local terms energy: -129.901493
where:
bonds (distance) C4'-P energy: -37.614
bonds (distance) P-C4' energy: -41.658
flat angles C4'-P-C4' energy: -30.881
flat angles P-C4'-P energy: -17.854
tors. eta vs tors. theta energy: -1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -234.067749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.067749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.067749 (E_RNA)
where:
Base-Base interactions energy: -86.593
where: short stacking energy: -74.767
Base-Backbone interact. energy: -0.464
local terms energy: -147.010431
where:
bonds (distance) C4'-P energy: -32.101
bonds (distance) P-C4' energy: -44.905
flat angles C4'-P-C4' energy: -36.675
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -181.340786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.340786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.340786 (E_RNA)
where:
Base-Base interactions energy: -74.714
where: short stacking energy: -50.814
Base-Backbone interact. energy: 1.162
local terms energy: -107.788741
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -31.515
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: 0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -684.533049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.533049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.533049 (E_RNA)
where:
Base-Base interactions energy: -466.934
where: short stacking energy: -193.638
Base-Backbone interact. energy: -0.324
local terms energy: -217.274379
where:
bonds (distance) C4'-P energy: -39.943
bonds (distance) P-C4' energy: -47.718
flat angles C4'-P-C4' energy: -44.821
flat angles P-C4'-P energy: -29.876
tors. eta vs tors. theta energy: -54.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -633.551461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.551461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.551461 (E_RNA)
where:
Base-Base interactions energy: -411.480
where: short stacking energy: -202.446
Base-Backbone interact. energy: -0.426
local terms energy: -221.645527
where:
bonds (distance) C4'-P energy: -44.090
bonds (distance) P-C4' energy: -41.317
flat angles C4'-P-C4' energy: -49.096
flat angles P-C4'-P energy: -32.038
tors. eta vs tors. theta energy: -55.105
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: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -606.993170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.993170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.993170 (E_RNA)
where:
Base-Base interactions energy: -389.520
where: short stacking energy: -189.077
Base-Backbone interact. energy: -0.545
local terms energy: -216.928147
where:
bonds (distance) C4'-P energy: -39.610
bonds (distance) P-C4' energy: -38.081
flat angles C4'-P-C4' energy: -50.089
flat angles P-C4'-P energy: -35.373
tors. eta vs tors. theta energy: -53.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -516.891338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.891338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.891338 (E_RNA)
where:
Base-Base interactions energy: -320.321
where: short stacking energy: -153.686
Base-Backbone interact. energy: 0.117
local terms energy: -196.686646
where:
bonds (distance) C4'-P energy: -41.354
bonds (distance) P-C4' energy: -42.828
flat angles C4'-P-C4' energy: -46.199
flat angles P-C4'-P energy: -32.418
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: 5, replica: 9
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -408.385521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.385521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.385521 (E_RNA)
where:
Base-Base interactions energy: -233.626
where: short stacking energy: -134.577
Base-Backbone interact. energy: -0.429
local terms energy: -174.330424
where:
bonds (distance) C4'-P energy: -40.010
bonds (distance) P-C4' energy: -38.393
flat angles C4'-P-C4' energy: -46.018
flat angles P-C4'-P energy: -28.706
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -420.598993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.598993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.598993 (E_RNA)
where:
Base-Base interactions energy: -256.215
where: short stacking energy: -127.270
Base-Backbone interact. energy: 3.748
local terms energy: -168.131991
where:
bonds (distance) C4'-P energy: -41.151
bonds (distance) P-C4' energy: -37.798
flat angles C4'-P-C4' energy: -29.815
flat angles P-C4'-P energy: -27.281
tors. eta vs tors. theta energy: -32.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -358.018797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.018797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.018797 (E_RNA)
where:
Base-Base interactions energy: -199.809
where: short stacking energy: -124.672
Base-Backbone interact. energy: -1.769
local terms energy: -156.441123
where:
bonds (distance) C4'-P energy: -33.785
bonds (distance) P-C4' energy: -45.788
flat angles C4'-P-C4' energy: -29.182
flat angles P-C4'-P energy: -19.365
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: 8, replica: 2
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -206.607812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.607812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.607812 (E_RNA)
where:
Base-Base interactions energy: -47.041
where: short stacking energy: -40.229
Base-Backbone interact. energy: 1.041
local terms energy: -160.607841
where:
bonds (distance) C4'-P energy: -40.763
bonds (distance) P-C4' energy: -47.191
flat angles C4'-P-C4' energy: -38.854
flat angles P-C4'-P energy: -31.849
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -197.476787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.476787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.476787 (E_RNA)
where:
Base-Base interactions energy: -68.003
where: short stacking energy: -59.389
Base-Backbone interact. energy: 2.580
local terms energy: -132.053307
where:
bonds (distance) C4'-P energy: -29.128
bonds (distance) P-C4' energy: -48.733
flat angles C4'-P-C4' energy: -33.739
flat angles P-C4'-P energy: -22.827
tors. eta vs tors. theta energy: 2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -196.948247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.948247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.948247 (E_RNA)
where:
Base-Base interactions energy: -69.949
where: short stacking energy: -66.919
Base-Backbone interact. energy: -0.549
local terms energy: -126.450079
where:
bonds (distance) C4'-P energy: -37.678
bonds (distance) P-C4' energy: -30.025
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -19.417
tors. eta vs tors. theta energy: -7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -680.045022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.045022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.045022 (E_RNA)
where:
Base-Base interactions energy: -448.399
where: short stacking energy: -197.758
Base-Backbone interact. energy: -0.384
local terms energy: -231.262110
where:
bonds (distance) C4'-P energy: -44.391
bonds (distance) P-C4' energy: -43.164
flat angles C4'-P-C4' energy: -48.332
flat angles P-C4'-P energy: -36.633
tors. eta vs tors. theta energy: -58.741
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: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -639.892983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.892983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.892983 (E_RNA)
where:
Base-Base interactions energy: -412.882
where: short stacking energy: -201.378
Base-Backbone interact. energy: -0.276
local terms energy: -226.734557
where:
bonds (distance) C4'-P energy: -39.477
bonds (distance) P-C4' energy: -46.129
flat angles C4'-P-C4' energy: -48.943
flat angles P-C4'-P energy: -32.280
tors. eta vs tors. theta energy: -59.906
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: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -580.377503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.377503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.377503 (E_RNA)
where:
Base-Base interactions energy: -373.253
where: short stacking energy: -172.655
Base-Backbone interact. energy: -0.778
local terms energy: -206.346712
where:
bonds (distance) C4'-P energy: -45.256
bonds (distance) P-C4' energy: -41.100
flat angles C4'-P-C4' energy: -45.821
flat angles P-C4'-P energy: -29.223
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: 4, replica: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -522.341270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.341270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.341270 (E_RNA)
where:
Base-Base interactions energy: -326.028
where: short stacking energy: -169.144
Base-Backbone interact. energy: 1.551
local terms energy: -197.864170
where:
bonds (distance) C4'-P energy: -40.584
bonds (distance) P-C4' energy: -41.847
flat angles C4'-P-C4' energy: -47.352
flat angles P-C4'-P energy: -23.948
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: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -451.938268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.938268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.938268 (E_RNA)
where:
Base-Base interactions energy: -275.839
where: short stacking energy: -142.323
Base-Backbone interact. energy: -0.319
local terms energy: -175.779686
where:
bonds (distance) C4'-P energy: -32.919
bonds (distance) P-C4' energy: -46.344
flat angles C4'-P-C4' energy: -35.200
flat angles P-C4'-P energy: -28.990
tors. eta vs tors. theta energy: -32.327
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: 9
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -414.071393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.071393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.071393 (E_RNA)
where:
Base-Base interactions energy: -238.736
where: short stacking energy: -122.108
Base-Backbone interact. energy: 0.074
local terms energy: -175.409348
where:
bonds (distance) C4'-P energy: -34.054
bonds (distance) P-C4' energy: -36.239
flat angles C4'-P-C4' energy: -37.022
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -34.992
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: 4
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -371.169944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.169944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.169944 (E_RNA)
where:
Base-Base interactions energy: -208.827
where: short stacking energy: -106.938
Base-Backbone interact. energy: 2.342
local terms energy: -164.684573
where:
bonds (distance) C4'-P energy: -34.022
bonds (distance) P-C4' energy: -44.625
flat angles C4'-P-C4' energy: -32.316
flat angles P-C4'-P energy: -28.280
tors. eta vs tors. theta energy: -25.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -207.735673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.735673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.735673 (E_RNA)
where:
Base-Base interactions energy: -73.988
where: short stacking energy: -66.343
Base-Backbone interact. energy: -0.308
local terms energy: -133.440084
where:
bonds (distance) C4'-P energy: -42.114
bonds (distance) P-C4' energy: -32.737
flat angles C4'-P-C4' energy: -37.251
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -219.457270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.457270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.457270 (E_RNA)
where:
Base-Base interactions energy: -87.210
where: short stacking energy: -69.515
Base-Backbone interact. energy: -0.831
local terms energy: -131.416863
where:
bonds (distance) C4'-P energy: -24.657
bonds (distance) P-C4' energy: -47.221
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -180.825601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.825601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.825601 (E_RNA)
where:
Base-Base interactions energy: -74.072
where: short stacking energy: -42.888
Base-Backbone interact. energy: -0.043
local terms energy: -106.710984
where:
bonds (distance) C4'-P energy: -38.198
bonds (distance) P-C4' energy: -38.582
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: 9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -670.615264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.615264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.615264 (E_RNA)
where:
Base-Base interactions energy: -449.450
where: short stacking energy: -191.467
Base-Backbone interact. energy: -0.810
local terms energy: -220.354968
where:
bonds (distance) C4'-P energy: -43.892
bonds (distance) P-C4' energy: -47.135
flat angles C4'-P-C4' energy: -48.284
flat angles P-C4'-P energy: -25.341
tors. eta vs tors. theta energy: -55.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -638.418377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.418377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.418377 (E_RNA)
where:
Base-Base interactions energy: -405.537
where: short stacking energy: -194.291
Base-Backbone interact. energy: -0.207
local terms energy: -232.674895
where:
bonds (distance) C4'-P energy: -45.098
bonds (distance) P-C4' energy: -45.304
flat angles C4'-P-C4' energy: -48.126
flat angles P-C4'-P energy: -31.466
tors. eta vs tors. theta energy: -62.681
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: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -588.322224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.322224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.322224 (E_RNA)
where:
Base-Base interactions energy: -380.753
where: short stacking energy: -183.026
Base-Backbone interact. energy: -1.389
local terms energy: -206.179837
where:
bonds (distance) C4'-P energy: -40.434
bonds (distance) P-C4' energy: -38.577
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -27.928
tors. eta vs tors. theta energy: -54.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -526.842108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.842108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.842108 (E_RNA)
where:
Base-Base interactions energy: -327.371
where: short stacking energy: -159.327
Base-Backbone interact. energy: -0.111
local terms energy: -199.360271
where:
bonds (distance) C4'-P energy: -41.362
bonds (distance) P-C4' energy: -43.818
flat angles C4'-P-C4' energy: -47.676
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -39.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -438.676906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.676906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.676906 (E_RNA)
where:
Base-Base interactions energy: -262.959
where: short stacking energy: -130.238
Base-Backbone interact. energy: -0.592
local terms energy: -175.125398
where:
bonds (distance) C4'-P energy: -38.030
bonds (distance) P-C4' energy: -37.751
flat angles C4'-P-C4' energy: -40.859
flat angles P-C4'-P energy: -34.026
tors. eta vs tors. theta energy: -24.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -394.395720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.395720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.395720 (E_RNA)
where:
Base-Base interactions energy: -231.074
where: short stacking energy: -118.272
Base-Backbone interact. energy: 0.476
local terms energy: -163.797584
where:
bonds (distance) C4'-P energy: -32.523
bonds (distance) P-C4' energy: -39.249
flat angles C4'-P-C4' energy: -41.057
flat angles P-C4'-P energy: -25.290
tors. eta vs tors. theta energy: -25.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -366.430085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.430085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.430085 (E_RNA)
where:
Base-Base interactions energy: -205.451
where: short stacking energy: -102.971
Base-Backbone interact. energy: -0.897
local terms energy: -160.082021
where:
bonds (distance) C4'-P energy: -39.253
bonds (distance) P-C4' energy: -42.512
flat angles C4'-P-C4' energy: -32.371
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: -23.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -224.207290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.207290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.207290 (E_RNA)
where:
Base-Base interactions energy: -93.091
where: short stacking energy: -52.383
Base-Backbone interact. energy: -0.542
local terms energy: -130.574335
where:
bonds (distance) C4'-P energy: -39.690
bonds (distance) P-C4' energy: -33.546
flat angles C4'-P-C4' energy: -33.834
flat angles P-C4'-P energy: -20.308
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: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -183.901547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.901547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.901547 (E_RNA)
where:
Base-Base interactions energy: -55.327
where: short stacking energy: -49.532
Base-Backbone interact. energy: -1.259
local terms energy: -127.315259
where:
bonds (distance) C4'-P energy: -32.474
bonds (distance) P-C4' energy: -34.573
flat angles C4'-P-C4' energy: -36.735
flat angles P-C4'-P energy: -30.034
tors. eta vs tors. theta energy: 6.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -170.043558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.043558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.043558 (E_RNA)
where:
Base-Base interactions energy: -45.722
where: short stacking energy: -40.410
Base-Backbone interact. energy: -0.955
local terms energy: -123.367332
where:
bonds (distance) C4'-P energy: -37.620
bonds (distance) P-C4' energy: -39.258
flat angles C4'-P-C4' energy: -34.708
flat angles P-C4'-P energy: -18.629
tors. eta vs tors. theta energy: 6.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -628.187593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.187593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.187593 (E_RNA)
where:
Base-Base interactions energy: -404.035
where: short stacking energy: -196.201
Base-Backbone interact. energy: -0.414
local terms energy: -223.739247
where:
bonds (distance) C4'-P energy: -41.754
bonds (distance) P-C4' energy: -43.623
flat angles C4'-P-C4' energy: -48.555
flat angles P-C4'-P energy: -33.877
tors. eta vs tors. theta energy: -55.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -659.639246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.639246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.639246 (E_RNA)
where:
Base-Base interactions energy: -435.973
where: short stacking energy: -191.356
Base-Backbone interact. energy: -0.106
local terms energy: -223.560183
where:
bonds (distance) C4'-P energy: -46.354
bonds (distance) P-C4' energy: -41.121
flat angles C4'-P-C4' energy: -44.305
flat angles P-C4'-P energy: -40.547
tors. eta vs tors. theta energy: -51.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -593.370270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.370270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.370270 (E_RNA)
where:
Base-Base interactions energy: -392.924
where: short stacking energy: -169.343
Base-Backbone interact. energy: -0.477
local terms energy: -199.969187
where:
bonds (distance) C4'-P energy: -38.117
bonds (distance) P-C4' energy: -43.848
flat angles C4'-P-C4' energy: -40.620
flat angles P-C4'-P energy: -29.047
tors. eta vs tors. theta energy: -48.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -539.254674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.254674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.254674 (E_RNA)
where:
Base-Base interactions energy: -346.684
where: short stacking energy: -187.240
Base-Backbone interact. energy: 0.387
local terms energy: -192.957171
where:
bonds (distance) C4'-P energy: -39.814
bonds (distance) P-C4' energy: -41.762
flat angles C4'-P-C4' energy: -42.347
flat angles P-C4'-P energy: -28.079
tors. eta vs tors. theta energy: -40.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -458.819858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.819858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.819858 (E_RNA)
where:
Base-Base interactions energy: -293.506
where: short stacking energy: -140.989
Base-Backbone interact. energy: 1.242
local terms energy: -166.556313
where:
bonds (distance) C4'-P energy: -32.830
bonds (distance) P-C4' energy: -30.849
flat angles C4'-P-C4' energy: -40.979
flat angles P-C4'-P energy: -24.438
tors. eta vs tors. theta energy: -37.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -399.657318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.657318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.657318 (E_RNA)
where:
Base-Base interactions energy: -232.927
where: short stacking energy: -120.979
Base-Backbone interact. energy: 0.839
local terms energy: -167.569491
where:
bonds (distance) C4'-P energy: -31.196
bonds (distance) P-C4' energy: -37.105
flat angles C4'-P-C4' energy: -44.475
flat angles P-C4'-P energy: -26.562
tors. eta vs tors. theta energy: -28.231
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: 442
Temperature: 1.200000
Total energy: -372.199195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.199195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.199195 (E_RNA)
where:
Base-Base interactions energy: -216.987
where: short stacking energy: -121.811
Base-Backbone interact. energy: 1.135
local terms energy: -156.346995
where:
bonds (distance) C4'-P energy: -30.554
bonds (distance) P-C4' energy: -35.241
flat angles C4'-P-C4' energy: -36.478
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -30.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -240.411744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.411744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.411744 (E_RNA)
where:
Base-Base interactions energy: -95.576
where: short stacking energy: -75.182
Base-Backbone interact. energy: -0.408
local terms energy: -144.427388
where:
bonds (distance) C4'-P energy: -32.676
bonds (distance) P-C4' energy: -42.514
flat angles C4'-P-C4' energy: -35.826
flat angles P-C4'-P energy: -25.562
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -206.732094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.732094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.732094 (E_RNA)
where:
Base-Base interactions energy: -87.663
where: short stacking energy: -58.278
Base-Backbone interact. energy: 0.383
local terms energy: -119.452141
where:
bonds (distance) C4'-P energy: -23.297
bonds (distance) P-C4' energy: -39.565
flat angles C4'-P-C4' energy: -34.542
flat angles P-C4'-P energy: -23.436
tors. eta vs tors. theta energy: 1.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -182.237363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.237363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.237363 (E_RNA)
where:
Base-Base interactions energy: -65.120
where: short stacking energy: -57.027
Base-Backbone interact. energy: 3.396
local terms energy: -120.513048
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -32.864
flat angles C4'-P-C4' energy: -36.669
flat angles P-C4'-P energy: -26.721
tors. eta vs tors. theta energy: 1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -644.741634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.741634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.741634 (E_RNA)
where:
Base-Base interactions energy: -410.135
where: short stacking energy: -211.581
Base-Backbone interact. energy: -0.306
local terms energy: -234.300445
where:
bonds (distance) C4'-P energy: -40.149
bonds (distance) P-C4' energy: -48.269
flat angles C4'-P-C4' energy: -49.652
flat angles P-C4'-P energy: -31.800
tors. eta vs tors. theta energy: -64.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -656.730717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.730717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.730717 (E_RNA)
where:
Base-Base interactions energy: -444.743
where: short stacking energy: -201.086
Base-Backbone interact. energy: -0.362
local terms energy: -211.625873
where:
bonds (distance) C4'-P energy: -42.757
bonds (distance) P-C4' energy: -38.139
flat angles C4'-P-C4' energy: -47.548
flat angles P-C4'-P energy: -28.486
tors. eta vs tors. theta energy: -54.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -593.525182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.525182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.525182 (E_RNA)
where:
Base-Base interactions energy: -384.432
where: short stacking energy: -161.559
Base-Backbone interact. energy: -1.072
local terms energy: -208.021246
where:
bonds (distance) C4'-P energy: -39.608
bonds (distance) P-C4' energy: -43.703
flat angles C4'-P-C4' energy: -38.955
flat angles P-C4'-P energy: -33.396
tors. eta vs tors. theta energy: -52.360
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: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -533.747053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.747053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.747053 (E_RNA)
where:
Base-Base interactions energy: -335.430
where: short stacking energy: -159.069
Base-Backbone interact. energy: -0.100
local terms energy: -198.216739
where:
bonds (distance) C4'-P energy: -43.451
bonds (distance) P-C4' energy: -36.719
flat angles C4'-P-C4' energy: -45.219
flat angles P-C4'-P energy: -27.908
tors. eta vs tors. theta energy: -44.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -441.668780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.668780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.668780 (E_RNA)
where:
Base-Base interactions energy: -258.762
where: short stacking energy: -134.794
Base-Backbone interact. energy: -0.483
local terms energy: -182.424089
where:
bonds (distance) C4'-P energy: -43.848
bonds (distance) P-C4' energy: -36.032
flat angles C4'-P-C4' energy: -37.677
flat angles P-C4'-P energy: -26.703
tors. eta vs tors. theta energy: -38.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -415.266886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.266886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.266886 (E_RNA)
where:
Base-Base interactions energy: -231.596
where: short stacking energy: -135.666
Base-Backbone interact. energy: -0.364
local terms energy: -183.307176
where:
bonds (distance) C4'-P energy: -40.505
bonds (distance) P-C4' energy: -45.555
flat angles C4'-P-C4' energy: -40.399
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -36.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -319.228979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.228979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.228979 (E_RNA)
where:
Base-Base interactions energy: -172.093
where: short stacking energy: -85.328
Base-Backbone interact. energy: 0.607
local terms energy: -147.742978
where:
bonds (distance) C4'-P energy: -26.388
bonds (distance) P-C4' energy: -42.155
flat angles C4'-P-C4' energy: -38.857
flat angles P-C4'-P energy: -32.437
tors. eta vs tors. theta energy: -7.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -218.308725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.308725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.308725 (E_RNA)
where:
Base-Base interactions energy: -77.802
where: short stacking energy: -66.237
Base-Backbone interact. energy: -0.463
local terms energy: -140.043959
where:
bonds (distance) C4'-P energy: -37.236
bonds (distance) P-C4' energy: -39.770
flat angles C4'-P-C4' energy: -36.485
flat angles P-C4'-P energy: -24.631
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: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -196.485447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.485447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.485447 (E_RNA)
where:
Base-Base interactions energy: -73.884
where: short stacking energy: -68.816
Base-Backbone interact. energy: -0.953
local terms energy: -121.648552
where:
bonds (distance) C4'-P energy: -41.346
bonds (distance) P-C4' energy: -32.591
flat angles C4'-P-C4' energy: -23.182
flat angles P-C4'-P energy: -18.405
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: 10, replica: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -176.142147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.142147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.142147 (E_RNA)
where:
Base-Base interactions energy: -67.895
where: short stacking energy: -50.671
Base-Backbone interact. energy: 2.978
local terms energy: -111.224640
where:
bonds (distance) C4'-P energy: -22.947
bonds (distance) P-C4' energy: -44.873
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: 1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -664.304115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.304115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.304115 (E_RNA)
where:
Base-Base interactions energy: -437.602
where: short stacking energy: -201.186
Base-Backbone interact. energy: 0.653
local terms energy: -227.355105
where:
bonds (distance) C4'-P energy: -46.038
bonds (distance) P-C4' energy: -44.764
flat angles C4'-P-C4' energy: -46.035
flat angles P-C4'-P energy: -34.885
tors. eta vs tors. theta energy: -55.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -661.798742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.798742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.798742 (E_RNA)
where:
Base-Base interactions energy: -415.970
where: short stacking energy: -218.465
Base-Backbone interact. energy: -1.115
local terms energy: -244.714078
where:
bonds (distance) C4'-P energy: -44.264
bonds (distance) P-C4' energy: -47.105
flat angles C4'-P-C4' energy: -49.923
flat angles P-C4'-P energy: -36.092
tors. eta vs tors. theta energy: -67.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -562.934811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.934811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.934811 (E_RNA)
where:
Base-Base interactions energy: -360.379
where: short stacking energy: -187.542
Base-Backbone interact. energy: 1.989
local terms energy: -204.544834
where:
bonds (distance) C4'-P energy: -35.533
bonds (distance) P-C4' energy: -44.393
flat angles C4'-P-C4' energy: -46.507
flat angles P-C4'-P energy: -26.992
tors. eta vs tors. theta energy: -51.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -573.777590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.777590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.777590 (E_RNA)
where:
Base-Base interactions energy: -374.728
where: short stacking energy: -185.495
Base-Backbone interact. energy: -0.199
local terms energy: -198.850016
where:
bonds (distance) C4'-P energy: -36.972
bonds (distance) P-C4' energy: -38.395
flat angles C4'-P-C4' energy: -40.807
flat angles P-C4'-P energy: -28.477
tors. eta vs tors. theta energy: -54.199
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: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -414.070771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.070771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.070771 (E_RNA)
where:
Base-Base interactions energy: -237.283
where: short stacking energy: -135.115
Base-Backbone interact. energy: -0.150
local terms energy: -176.638159
where:
bonds (distance) C4'-P energy: -32.751
bonds (distance) P-C4' energy: -37.853
flat angles C4'-P-C4' energy: -39.783
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: -38.574
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: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -440.413531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.413531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.413531 (E_RNA)
where:
Base-Base interactions energy: -256.408
where: short stacking energy: -134.568
Base-Backbone interact. energy: -0.937
local terms energy: -183.068663
where:
bonds (distance) C4'-P energy: -43.550
bonds (distance) P-C4' energy: -40.944
flat angles C4'-P-C4' energy: -42.259
flat angles P-C4'-P energy: -21.085
tors. eta vs tors. theta energy: -35.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -361.130925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.130925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.130925 (E_RNA)
where:
Base-Base interactions energy: -210.559
where: short stacking energy: -106.578
Base-Backbone interact. energy: -0.987
local terms energy: -149.585232
where:
bonds (distance) C4'-P energy: -40.495
bonds (distance) P-C4' energy: -40.091
flat angles C4'-P-C4' energy: -32.145
flat angles P-C4'-P energy: -23.940
tors. eta vs tors. theta energy: -12.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -214.243386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.243386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.243386 (E_RNA)
where:
Base-Base interactions energy: -98.919
where: short stacking energy: -80.943
Base-Backbone interact. energy: 2.581
local terms energy: -117.905053
where:
bonds (distance) C4'-P energy: -36.595
bonds (distance) P-C4' energy: -39.425
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: 3.070
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: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -208.474390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.474390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.474390 (E_RNA)
where:
Base-Base interactions energy: -67.330
where: short stacking energy: -62.817
Base-Backbone interact. energy: -0.584
local terms energy: -140.560348
where:
bonds (distance) C4'-P energy: -36.183
bonds (distance) P-C4' energy: -38.032
flat angles C4'-P-C4' energy: -31.058
flat angles P-C4'-P energy: -30.184
tors. eta vs tors. theta energy: -5.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -187.845368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.845368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.845368 (E_RNA)
where:
Base-Base interactions energy: -62.571
where: short stacking energy: -57.343
Base-Backbone interact. energy: 3.590
local terms energy: -128.865295
where:
bonds (distance) C4'-P energy: -32.382
bonds (distance) P-C4' energy: -44.443
flat angles C4'-P-C4' energy: -29.830
flat angles P-C4'-P energy: -18.823
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -655.323211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.323211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.323211 (E_RNA)
where:
Base-Base interactions energy: -446.128
where: short stacking energy: -193.280
Base-Backbone interact. energy: 1.033
local terms energy: -210.227960
where:
bonds (distance) C4'-P energy: -43.695
bonds (distance) P-C4' energy: -47.925
flat angles C4'-P-C4' energy: -41.550
flat angles P-C4'-P energy: -23.138
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: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -640.290192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.290192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.290192 (E_RNA)
where:
Base-Base interactions energy: -425.664
where: short stacking energy: -208.279
Base-Backbone interact. energy: -0.707
local terms energy: -213.919023
where:
bonds (distance) C4'-P energy: -42.587
bonds (distance) P-C4' energy: -42.062
flat angles C4'-P-C4' energy: -38.233
flat angles P-C4'-P energy: -33.421
tors. eta vs tors. theta energy: -57.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -539.618146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.618146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.618146 (E_RNA)
where:
Base-Base interactions energy: -337.150
where: short stacking energy: -173.397
Base-Backbone interact. energy: -0.927
local terms energy: -201.540684
where:
bonds (distance) C4'-P energy: -41.446
bonds (distance) P-C4' energy: -42.205
flat angles C4'-P-C4' energy: -44.557
flat angles P-C4'-P energy: -25.836
tors. eta vs tors. theta energy: -47.496
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: 4, replica: 7
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -548.711538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.711538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.711538 (E_RNA)
where:
Base-Base interactions energy: -349.847
where: short stacking energy: -164.791
Base-Backbone interact. energy: -0.308
local terms energy: -198.556621
where:
bonds (distance) C4'-P energy: -39.095
bonds (distance) P-C4' energy: -41.260
flat angles C4'-P-C4' energy: -46.042
flat angles P-C4'-P energy: -23.405
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: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -393.137852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.137852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.137852 (E_RNA)
where:
Base-Base interactions energy: -213.771
where: short stacking energy: -111.298
Base-Backbone interact. energy: -1.318
local terms energy: -178.048850
where:
bonds (distance) C4'-P energy: -39.716
bonds (distance) P-C4' energy: -38.550
flat angles C4'-P-C4' energy: -49.844
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -431.120690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.120690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.120690 (E_RNA)
where:
Base-Base interactions energy: -247.427
where: short stacking energy: -110.554
Base-Backbone interact. energy: -0.082
local terms energy: -183.611996
where:
bonds (distance) C4'-P energy: -34.855
bonds (distance) P-C4' energy: -45.268
flat angles C4'-P-C4' energy: -49.026
flat angles P-C4'-P energy: -30.613
tors. eta vs tors. theta energy: -23.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -384.404262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.404262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.404262 (E_RNA)
where:
Base-Base interactions energy: -228.287
where: short stacking energy: -116.642
Base-Backbone interact. energy: -0.358
local terms energy: -155.759416
where:
bonds (distance) C4'-P energy: -37.591
bonds (distance) P-C4' energy: -35.948
flat angles C4'-P-C4' energy: -35.188
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -24.909
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: 445
Temperature: 1.250000
Total energy: -248.828101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.828101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.828101 (E_RNA)
where:
Base-Base interactions energy: -118.983
where: short stacking energy: -68.450
Base-Backbone interact. energy: 1.156
local terms energy: -131.001622
where:
bonds (distance) C4'-P energy: -30.521
bonds (distance) P-C4' energy: -36.677
flat angles C4'-P-C4' energy: -33.417
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -204.747617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.747617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.747617 (E_RNA)
where:
Base-Base interactions energy: -91.171
where: short stacking energy: -83.502
Base-Backbone interact. energy: 3.296
local terms energy: -116.872540
where:
bonds (distance) C4'-P energy: -35.318
bonds (distance) P-C4' energy: -27.429
flat angles C4'-P-C4' energy: -29.649
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -3.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -189.815830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.815830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.815830 (E_RNA)
where:
Base-Base interactions energy: -59.828
where: short stacking energy: -49.943
Base-Backbone interact. energy: -0.083
local terms energy: -129.904406
where:
bonds (distance) C4'-P energy: -37.178
bonds (distance) P-C4' energy: -40.465
flat angles C4'-P-C4' energy: -40.673
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: 4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -649.878876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.878876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.878876 (E_RNA)
where:
Base-Base interactions energy: -435.726
where: short stacking energy: -182.876
Base-Backbone interact. energy: -0.326
local terms energy: -213.827291
where:
bonds (distance) C4'-P energy: -38.027
bonds (distance) P-C4' energy: -42.554
flat angles C4'-P-C4' energy: -46.248
flat angles P-C4'-P energy: -32.014
tors. eta vs tors. theta energy: -54.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -627.979466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.979466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.979466 (E_RNA)
where:
Base-Base interactions energy: -405.756
where: short stacking energy: -197.833
Base-Backbone interact. energy: 0.020
local terms energy: -222.243075
where:
bonds (distance) C4'-P energy: -42.434
bonds (distance) P-C4' energy: -46.935
flat angles C4'-P-C4' energy: -46.678
flat angles P-C4'-P energy: -36.751
tors. eta vs tors. theta energy: -49.445
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: 8
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -566.696630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.696630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.696630 (E_RNA)
where:
Base-Base interactions energy: -365.177
where: short stacking energy: -167.378
Base-Backbone interact. energy: -0.373
local terms energy: -201.147024
where:
bonds (distance) C4'-P energy: -40.501
bonds (distance) P-C4' energy: -49.290
flat angles C4'-P-C4' energy: -42.133
flat angles P-C4'-P energy: -25.047
tors. eta vs tors. theta energy: -44.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -512.070546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.070546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.070546 (E_RNA)
where:
Base-Base interactions energy: -327.212
where: short stacking energy: -140.216
Base-Backbone interact. energy: -0.770
local terms energy: -184.088243
where:
bonds (distance) C4'-P energy: -44.111
bonds (distance) P-C4' energy: -41.324
flat angles C4'-P-C4' energy: -42.343
flat angles P-C4'-P energy: -22.871
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: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -458.329728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.329728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.329728 (E_RNA)
where:
Base-Base interactions energy: -267.915
where: short stacking energy: -122.940
Base-Backbone interact. energy: -1.388
local terms energy: -189.025979
where:
bonds (distance) C4'-P energy: -36.221
bonds (distance) P-C4' energy: -47.491
flat angles C4'-P-C4' energy: -41.272
flat angles P-C4'-P energy: -26.757
tors. eta vs tors. theta energy: -37.284
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: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -401.234282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.234282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.234282 (E_RNA)
where:
Base-Base interactions energy: -231.174
where: short stacking energy: -107.781
Base-Backbone interact. energy: 0.861
local terms energy: -170.920662
where:
bonds (distance) C4'-P energy: -39.138
bonds (distance) P-C4' energy: -41.596
flat angles C4'-P-C4' energy: -33.319
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -28.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -425.199211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.199211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.199211 (E_RNA)
where:
Base-Base interactions energy: -249.123
where: short stacking energy: -130.807
Base-Backbone interact. energy: -0.262
local terms energy: -175.814253
where:
bonds (distance) C4'-P energy: -31.056
bonds (distance) P-C4' energy: -42.538
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -27.829
tors. eta vs tors. theta energy: -37.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -235.035860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.035860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.035860 (E_RNA)
where:
Base-Base interactions energy: -115.129
where: short stacking energy: -65.536
Base-Backbone interact. energy: 1.393
local terms energy: -121.299804
where:
bonds (distance) C4'-P energy: -34.351
bonds (distance) P-C4' energy: -29.645
flat angles C4'-P-C4' energy: -29.041
flat angles P-C4'-P energy: -30.282
tors. eta vs tors. theta energy: 2.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -237.676640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.676640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.676640 (E_RNA)
where:
Base-Base interactions energy: -112.913
where: short stacking energy: -78.273
Base-Backbone interact. energy: -1.059
local terms energy: -123.704292
where:
bonds (distance) C4'-P energy: -39.150
bonds (distance) P-C4' energy: -33.940
flat angles C4'-P-C4' energy: -28.940
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -9.805
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: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -179.395158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.395158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.395158 (E_RNA)
where:
Base-Base interactions energy: -43.324
where: short stacking energy: -41.000
Base-Backbone interact. energy: -0.329
local terms energy: -135.742201
where:
bonds (distance) C4'-P energy: -42.724
bonds (distance) P-C4' energy: -38.660
flat angles C4'-P-C4' energy: -39.841
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: 3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -663.302784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.302784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.302784 (E_RNA)
where:
Base-Base interactions energy: -452.351
where: short stacking energy: -181.263
Base-Backbone interact. energy: -1.679
local terms energy: -209.272507
where:
bonds (distance) C4'-P energy: -45.364
bonds (distance) P-C4' energy: -37.328
flat angles C4'-P-C4' energy: -43.462
flat angles P-C4'-P energy: -32.607
tors. eta vs tors. theta energy: -50.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -661.604841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.604841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.604841 (E_RNA)
where:
Base-Base interactions energy: -429.979
where: short stacking energy: -203.439
Base-Backbone interact. energy: -0.613
local terms energy: -231.012875
where:
bonds (distance) C4'-P energy: -44.449
bonds (distance) P-C4' energy: -40.950
flat angles C4'-P-C4' energy: -48.331
flat angles P-C4'-P energy: -34.239
tors. eta vs tors. theta energy: -63.045
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: 8
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -551.853483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.853483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.853483 (E_RNA)
where:
Base-Base interactions energy: -361.526
where: short stacking energy: -178.792
Base-Backbone interact. energy: 0.416
local terms energy: -190.743638
where:
bonds (distance) C4'-P energy: -39.355
bonds (distance) P-C4' energy: -38.003
flat angles C4'-P-C4' energy: -44.175
flat angles P-C4'-P energy: -24.161
tors. eta vs tors. theta energy: -45.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -536.988540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.988540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.988540 (E_RNA)
where:
Base-Base interactions energy: -353.798
where: short stacking energy: -156.305
Base-Backbone interact. energy: -0.443
local terms energy: -182.746998
where:
bonds (distance) C4'-P energy: -37.308
bonds (distance) P-C4' energy: -40.362
flat angles C4'-P-C4' energy: -35.151
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: -41.693
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: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -467.786978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.786978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.786978 (E_RNA)
where:
Base-Base interactions energy: -264.681
where: short stacking energy: -133.785
Base-Backbone interact. energy: -0.586
local terms energy: -202.519976
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -45.091
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -29.420
tors. eta vs tors. theta energy: -39.479
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: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -402.778939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.778939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.778939 (E_RNA)
where:
Base-Base interactions energy: -249.442
where: short stacking energy: -120.323
Base-Backbone interact. energy: -0.543
local terms energy: -152.794538
where:
bonds (distance) C4'-P energy: -40.366
bonds (distance) P-C4' energy: -37.821
flat angles C4'-P-C4' energy: -40.292
flat angles P-C4'-P energy: -21.271
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -377.181001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.181001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.181001 (E_RNA)
where:
Base-Base interactions energy: -218.832
where: short stacking energy: -117.546
Base-Backbone interact. energy: -0.835
local terms energy: -157.514710
where:
bonds (distance) C4'-P energy: -40.928
bonds (distance) P-C4' energy: -38.808
flat angles C4'-P-C4' energy: -36.566
flat angles P-C4'-P energy: -19.336
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -247.793112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.793112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.793112 (E_RNA)
where:
Base-Base interactions energy: -95.683
where: short stacking energy: -57.710
Base-Backbone interact. energy: -0.067
local terms energy: -152.043406
where:
bonds (distance) C4'-P energy: -32.574
bonds (distance) P-C4' energy: -43.481
flat angles C4'-P-C4' energy: -36.924
flat angles P-C4'-P energy: -23.444
tors. eta vs tors. theta energy: -15.620
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: 6
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -198.361298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.361298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.361298 (E_RNA)
where:
Base-Base interactions energy: -76.333
where: short stacking energy: -49.585
Base-Backbone interact. energy: -0.221
local terms energy: -121.807417
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -44.727
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -20.403
tors. eta vs tors. theta energy: 5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -196.404976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.404976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.404976 (E_RNA)
where:
Base-Base interactions energy: -86.553
where: short stacking energy: -49.833
Base-Backbone interact. energy: -1.161
local terms energy: -108.690723
where:
bonds (distance) C4'-P energy: -39.120
bonds (distance) P-C4' energy: -36.038
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -18.361
tors. eta vs tors. theta energy: 10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -645.853798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.853798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.853798 (E_RNA)
where:
Base-Base interactions energy: -427.265
where: short stacking energy: -196.629
Base-Backbone interact. energy: 2.050
local terms energy: -220.639251
where:
bonds (distance) C4'-P energy: -42.213
bonds (distance) P-C4' energy: -43.661
flat angles C4'-P-C4' energy: -46.839
flat angles P-C4'-P energy: -31.196
tors. eta vs tors. theta energy: -56.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -656.140640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.140640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.140640 (E_RNA)
where:
Base-Base interactions energy: -449.808
where: short stacking energy: -157.966
Base-Backbone interact. energy: -1.226
local terms energy: -205.106878
where:
bonds (distance) C4'-P energy: -41.397
bonds (distance) P-C4' energy: -44.443
flat angles C4'-P-C4' energy: -47.653
flat angles P-C4'-P energy: -32.014
tors. eta vs tors. theta energy: -39.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -587.296098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.296098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.296098 (E_RNA)
where:
Base-Base interactions energy: -372.532
where: short stacking energy: -192.587
Base-Backbone interact. energy: -0.145
local terms energy: -214.619443
where:
bonds (distance) C4'-P energy: -38.162
bonds (distance) P-C4' energy: -46.227
flat angles C4'-P-C4' energy: -48.659
flat angles P-C4'-P energy: -25.961
tors. eta vs tors. theta energy: -55.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -530.344592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.344592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.344592 (E_RNA)
where:
Base-Base interactions energy: -349.852
where: short stacking energy: -145.274
Base-Backbone interact. energy: -0.711
local terms energy: -179.781779
where:
bonds (distance) C4'-P energy: -34.193
bonds (distance) P-C4' energy: -40.902
flat angles C4'-P-C4' energy: -38.253
flat angles P-C4'-P energy: -30.917
tors. eta vs tors. theta energy: -35.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -464.558515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.558515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.558515 (E_RNA)
where:
Base-Base interactions energy: -264.109
where: short stacking energy: -136.604
Base-Backbone interact. energy: 0.668
local terms energy: -201.117661
where:
bonds (distance) C4'-P energy: -43.830
bonds (distance) P-C4' energy: -45.749
flat angles C4'-P-C4' energy: -44.789
flat angles P-C4'-P energy: -21.430
tors. eta vs tors. theta energy: -45.320
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: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -407.446665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.446665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.446665 (E_RNA)
where:
Base-Base interactions energy: -235.218
where: short stacking energy: -131.482
Base-Backbone interact. energy: -0.616
local terms energy: -171.612235
where:
bonds (distance) C4'-P energy: -39.074
bonds (distance) P-C4' energy: -44.684
flat angles C4'-P-C4' energy: -39.439
flat angles P-C4'-P energy: -19.890
tors. eta vs tors. theta energy: -28.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -356.237316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.237316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.237316 (E_RNA)
where:
Base-Base interactions energy: -201.844
where: short stacking energy: -107.668
Base-Backbone interact. energy: 0.328
local terms energy: -154.721034
where:
bonds (distance) C4'-P energy: -36.796
bonds (distance) P-C4' energy: -36.581
flat angles C4'-P-C4' energy: -32.449
flat angles P-C4'-P energy: -28.294
tors. eta vs tors. theta energy: -20.600
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: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -214.982251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.982251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.982251 (E_RNA)
where:
Base-Base interactions energy: -77.766
where: short stacking energy: -67.365
Base-Backbone interact. energy: -0.608
local terms energy: -136.608318
where:
bonds (distance) C4'-P energy: -31.138
bonds (distance) P-C4' energy: -42.374
flat angles C4'-P-C4' energy: -34.601
flat angles P-C4'-P energy: -18.000
tors. eta vs tors. theta energy: -10.494
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: 9, replica: 6
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -216.499143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.499143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.499143 (E_RNA)
where:
Base-Base interactions energy: -91.532
where: short stacking energy: -68.380
Base-Backbone interact. energy: -0.966
local terms energy: -124.000504
where:
bonds (distance) C4'-P energy: -39.601
bonds (distance) P-C4' energy: -36.001
flat angles C4'-P-C4' energy: -43.422
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: 3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -207.812422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.812422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.812422 (E_RNA)
where:
Base-Base interactions energy: -98.746
where: short stacking energy: -70.736
Base-Backbone interact. energy: -0.982
local terms energy: -108.084781
where:
bonds (distance) C4'-P energy: -27.420
bonds (distance) P-C4' energy: -42.919
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -7.345
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: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -657.720917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.720917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.720917 (E_RNA)
where:
Base-Base interactions energy: -431.258
where: short stacking energy: -198.185
Base-Backbone interact. energy: -0.128
local terms energy: -226.334881
where:
bonds (distance) C4'-P energy: -43.272
bonds (distance) P-C4' energy: -46.603
flat angles C4'-P-C4' energy: -50.475
flat angles P-C4'-P energy: -31.688
tors. eta vs tors. theta energy: -54.296
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: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -659.417545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.417545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.417545 (E_RNA)
where:
Base-Base interactions energy: -447.288
where: short stacking energy: -170.980
Base-Backbone interact. energy: -0.672
local terms energy: -211.457216
where:
bonds (distance) C4'-P energy: -45.023
bonds (distance) P-C4' energy: -44.281
flat angles C4'-P-C4' energy: -47.043
flat angles P-C4'-P energy: -26.225
tors. eta vs tors. theta energy: -48.885
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: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -577.886375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.886375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.886375 (E_RNA)
where:
Base-Base interactions energy: -367.561
where: short stacking energy: -193.613
Base-Backbone interact. energy: -0.583
local terms energy: -209.742298
where:
bonds (distance) C4'-P energy: -39.144
bonds (distance) P-C4' energy: -41.262
flat angles C4'-P-C4' energy: -48.191
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -54.043
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: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -555.292585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.292585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.292585 (E_RNA)
where:
Base-Base interactions energy: -360.045
where: short stacking energy: -161.404
Base-Backbone interact. energy: -0.296
local terms energy: -194.951535
where:
bonds (distance) C4'-P energy: -42.740
bonds (distance) P-C4' energy: -37.115
flat angles C4'-P-C4' energy: -45.911
flat angles P-C4'-P energy: -29.647
tors. eta vs tors. theta energy: -39.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -438.578344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.578344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.578344 (E_RNA)
where:
Base-Base interactions energy: -254.168
where: short stacking energy: -137.153
Base-Backbone interact. energy: -0.320
local terms energy: -184.090277
where:
bonds (distance) C4'-P energy: -45.392
bonds (distance) P-C4' energy: -44.813
flat angles C4'-P-C4' energy: -46.031
flat angles P-C4'-P energy: -19.296
tors. eta vs tors. theta energy: -28.558
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: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -395.199751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.199751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.199751 (E_RNA)
where:
Base-Base interactions energy: -234.541
where: short stacking energy: -118.328
Base-Backbone interact. energy: 5.493
local terms energy: -166.152116
where:
bonds (distance) C4'-P energy: -39.796
bonds (distance) P-C4' energy: -42.323
flat angles C4'-P-C4' energy: -39.278
flat angles P-C4'-P energy: -23.872
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: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -390.948589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.948589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.948589 (E_RNA)
where:
Base-Base interactions energy: -244.734
where: short stacking energy: -124.379
Base-Backbone interact. energy: 0.139
local terms energy: -146.353397
where:
bonds (distance) C4'-P energy: -28.427
bonds (distance) P-C4' energy: -31.399
flat angles C4'-P-C4' energy: -40.059
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -23.186
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: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -213.341136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.341136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.341136 (E_RNA)
where:
Base-Base interactions energy: -87.627
where: short stacking energy: -61.130
Base-Backbone interact. energy: 1.674
local terms energy: -127.388312
where:
bonds (distance) C4'-P energy: -31.880
bonds (distance) P-C4' energy: -38.698
flat angles C4'-P-C4' energy: -30.652
flat angles P-C4'-P energy: -28.683
tors. eta vs tors. theta energy: 2.523
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: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -188.730903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.730903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.730903 (E_RNA)
where:
Base-Base interactions energy: -59.101
where: short stacking energy: -47.087
Base-Backbone interact. energy: -0.785
local terms energy: -128.845278
where:
bonds (distance) C4'-P energy: -34.652
bonds (distance) P-C4' energy: -41.486
flat angles C4'-P-C4' energy: -38.259
flat angles P-C4'-P energy: -30.513
tors. eta vs tors. theta energy: 16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -203.788743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.788743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.788743 (E_RNA)
where:
Base-Base interactions energy: -97.835
where: short stacking energy: -60.584
Base-Backbone interact. energy: 2.551
local terms energy: -108.504168
where:
bonds (distance) C4'-P energy: -34.231
bonds (distance) P-C4' energy: -31.261
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -16.150
tors. eta vs tors. theta energy: 0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -666.058310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.058310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.058310 (E_RNA)
where:
Base-Base interactions energy: -458.463
where: short stacking energy: -197.749
Base-Backbone interact. energy: 0.934
local terms energy: -208.529929
where:
bonds (distance) C4'-P energy: -40.043
bonds (distance) P-C4' energy: -44.074
flat angles C4'-P-C4' energy: -43.211
flat angles P-C4'-P energy: -29.267
tors. eta vs tors. theta energy: -51.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -640.947110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.947110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.947110 (E_RNA)
where:
Base-Base interactions energy: -429.425
where: short stacking energy: -198.223
Base-Backbone interact. energy: -1.798
local terms energy: -209.724578
where:
bonds (distance) C4'-P energy: -39.920
bonds (distance) P-C4' energy: -42.130
flat angles C4'-P-C4' energy: -41.163
flat angles P-C4'-P energy: -29.416
tors. eta vs tors. theta energy: -57.096
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: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -567.769487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.769487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.769487 (E_RNA)
where:
Base-Base interactions energy: -358.050
where: short stacking energy: -182.752
Base-Backbone interact. energy: -0.056
local terms energy: -209.663490
where:
bonds (distance) C4'-P energy: -43.555
bonds (distance) P-C4' energy: -39.540
flat angles C4'-P-C4' energy: -39.174
flat angles P-C4'-P energy: -33.766
tors. eta vs tors. theta energy: -53.627
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: 7
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -541.843450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.843450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.843450 (E_RNA)
where:
Base-Base interactions energy: -337.046
where: short stacking energy: -161.774
Base-Backbone interact. energy: -0.406
local terms energy: -204.391900
where:
bonds (distance) C4'-P energy: -37.665
bonds (distance) P-C4' energy: -45.653
flat angles C4'-P-C4' energy: -47.885
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -48.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -421.171285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.171285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.171285 (E_RNA)
where:
Base-Base interactions energy: -243.848
where: short stacking energy: -119.092
Base-Backbone interact. energy: -1.781
local terms energy: -175.541715
where:
bonds (distance) C4'-P energy: -37.989
bonds (distance) P-C4' energy: -38.814
flat angles C4'-P-C4' energy: -42.332
flat angles P-C4'-P energy: -28.162
tors. eta vs tors. theta energy: -28.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -372.610519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.610519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.610519 (E_RNA)
where:
Base-Base interactions energy: -231.010
where: short stacking energy: -113.334
Base-Backbone interact. energy: 4.161
local terms energy: -145.761242
where:
bonds (distance) C4'-P energy: -37.449
bonds (distance) P-C4' energy: -37.052
flat angles C4'-P-C4' energy: -31.672
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: -16.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -373.062658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.062658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.062658 (E_RNA)
where:
Base-Base interactions energy: -232.040
where: short stacking energy: -109.936
Base-Backbone interact. energy: 0.296
local terms energy: -141.318071
where:
bonds (distance) C4'-P energy: -34.342
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -36.932
flat angles P-C4'-P energy: -16.325
tors. eta vs tors. theta energy: -18.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -220.420017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.420017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.420017 (E_RNA)
where:
Base-Base interactions energy: -80.141
where: short stacking energy: -69.310
Base-Backbone interact. energy: 0.179
local terms energy: -140.457971
where:
bonds (distance) C4'-P energy: -33.282
bonds (distance) P-C4' energy: -48.488
flat angles C4'-P-C4' energy: -33.193
flat angles P-C4'-P energy: -17.342
tors. eta vs tors. theta energy: -8.154
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: 1
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -184.921400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.921400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.921400 (E_RNA)
where:
Base-Base interactions energy: -67.195
where: short stacking energy: -49.668
Base-Backbone interact. energy: 0.862
local terms energy: -118.588768
where:
bonds (distance) C4'-P energy: -36.447
bonds (distance) P-C4' energy: -37.304
flat angles C4'-P-C4' energy: -34.555
flat angles P-C4'-P energy: -19.683
tors. eta vs tors. theta energy: 9.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -171.996342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.996342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.996342 (E_RNA)
where:
Base-Base interactions energy: -55.602
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.490
local terms energy: -115.903924
where:
bonds (distance) C4'-P energy: -27.586
bonds (distance) P-C4' energy: -32.160
flat angles C4'-P-C4' energy: -31.412
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: 1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -652.684789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.684789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.684789 (E_RNA)
where:
Base-Base interactions energy: -444.920
where: short stacking energy: -192.169
Base-Backbone interact. energy: -2.623
local terms energy: -205.141617
where:
bonds (distance) C4'-P energy: -40.435
bonds (distance) P-C4' energy: -39.556
flat angles C4'-P-C4' energy: -45.380
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -56.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -638.821008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.821008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.821008 (E_RNA)
where:
Base-Base interactions energy: -411.113
where: short stacking energy: -193.002
Base-Backbone interact. energy: -0.260
local terms energy: -227.447287
where:
bonds (distance) C4'-P energy: -41.089
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -49.748
flat angles P-C4'-P energy: -31.156
tors. eta vs tors. theta energy: -56.317
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: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -522.265551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.265551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.265551 (E_RNA)
where:
Base-Base interactions energy: -332.715
where: short stacking energy: -153.918
Base-Backbone interact. energy: 0.071
local terms energy: -189.621597
where:
bonds (distance) C4'-P energy: -43.181
bonds (distance) P-C4' energy: -41.218
flat angles C4'-P-C4' energy: -35.011
flat angles P-C4'-P energy: -31.316
tors. eta vs tors. theta energy: -38.896
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: 7
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -530.141785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.141785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.141785 (E_RNA)
where:
Base-Base interactions energy: -329.745
where: short stacking energy: -154.247
Base-Backbone interact. energy: -0.073
local terms energy: -200.323763
where:
bonds (distance) C4'-P energy: -45.592
bonds (distance) P-C4' energy: -47.055
flat angles C4'-P-C4' energy: -41.410
flat angles P-C4'-P energy: -23.596
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: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -439.038419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.038419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.038419 (E_RNA)
where:
Base-Base interactions energy: -262.560
where: short stacking energy: -139.834
Base-Backbone interact. energy: -0.644
local terms energy: -175.834426
where:
bonds (distance) C4'-P energy: -35.131
bonds (distance) P-C4' energy: -33.787
flat angles C4'-P-C4' energy: -47.980
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -34.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -391.512784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.512784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.512784 (E_RNA)
where:
Base-Base interactions energy: -230.584
where: short stacking energy: -110.719
Base-Backbone interact. energy: -1.941
local terms energy: -158.987526
where:
bonds (distance) C4'-P energy: -33.219
bonds (distance) P-C4' energy: -44.385
flat angles C4'-P-C4' energy: -34.846
flat angles P-C4'-P energy: -31.218
tors. eta vs tors. theta energy: -15.320
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: 451
Temperature: 1.200000
Total energy: -332.737568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.737568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.737568 (E_RNA)
where:
Base-Base interactions energy: -192.980
where: short stacking energy: -96.038
Base-Backbone interact. energy: -1.561
local terms energy: -138.197116
where:
bonds (distance) C4'-P energy: -31.969
bonds (distance) P-C4' energy: -28.293
flat angles C4'-P-C4' energy: -38.131
flat angles P-C4'-P energy: -26.531
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -226.001794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.001794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.001794 (E_RNA)
where:
Base-Base interactions energy: -94.086
where: short stacking energy: -80.028
Base-Backbone interact. energy: -0.643
local terms energy: -131.273409
where:
bonds (distance) C4'-P energy: -35.614
bonds (distance) P-C4' energy: -37.070
flat angles C4'-P-C4' energy: -29.412
flat angles P-C4'-P energy: -24.946
tors. eta vs tors. theta energy: -4.230
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: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -201.011086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.011086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.011086 (E_RNA)
where:
Base-Base interactions energy: -64.128
where: short stacking energy: -59.286
Base-Backbone interact. energy: 3.026
local terms energy: -139.909029
where:
bonds (distance) C4'-P energy: -40.703
bonds (distance) P-C4' energy: -42.688
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -183.528841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.528841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.528841 (E_RNA)
where:
Base-Base interactions energy: -66.051
where: short stacking energy: -65.218
Base-Backbone interact. energy: 2.877
local terms energy: -120.355212
where:
bonds (distance) C4'-P energy: -34.105
bonds (distance) P-C4' energy: -36.818
flat angles C4'-P-C4' energy: -29.512
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -640.469063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.469063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.469063 (E_RNA)
where:
Base-Base interactions energy: -413.500
where: short stacking energy: -194.255
Base-Backbone interact. energy: -0.639
local terms energy: -226.330627
where:
bonds (distance) C4'-P energy: -41.629
bonds (distance) P-C4' energy: -39.938
flat angles C4'-P-C4' energy: -52.493
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -59.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -643.134327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.134327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.134327 (E_RNA)
where:
Base-Base interactions energy: -430.639
where: short stacking energy: -181.531
Base-Backbone interact. energy: -1.843
local terms energy: -210.652059
where:
bonds (distance) C4'-P energy: -38.432
bonds (distance) P-C4' energy: -48.179
flat angles C4'-P-C4' energy: -44.911
flat angles P-C4'-P energy: -31.467
tors. eta vs tors. theta energy: -47.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -537.072550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.072550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.072550 (E_RNA)
where:
Base-Base interactions energy: -341.005
where: short stacking energy: -173.217
Base-Backbone interact. energy: -0.971
local terms energy: -195.096771
where:
bonds (distance) C4'-P energy: -49.338
bonds (distance) P-C4' energy: -31.327
flat angles C4'-P-C4' energy: -45.697
flat angles P-C4'-P energy: -28.339
tors. eta vs tors. theta energy: -40.396
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: 7
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -499.498839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.498839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.498839 (E_RNA)
where:
Base-Base interactions energy: -304.269
where: short stacking energy: -138.849
Base-Backbone interact. energy: 0.034
local terms energy: -195.263891
where:
bonds (distance) C4'-P energy: -35.203
bonds (distance) P-C4' energy: -43.938
flat angles C4'-P-C4' energy: -45.236
flat angles P-C4'-P energy: -24.259
tors. eta vs tors. theta energy: -46.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -447.675467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.675467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.675467 (E_RNA)
where:
Base-Base interactions energy: -263.646
where: short stacking energy: -133.786
Base-Backbone interact. energy: 0.052
local terms energy: -184.081425
where:
bonds (distance) C4'-P energy: -38.721
bonds (distance) P-C4' energy: -40.422
flat angles C4'-P-C4' energy: -40.846
flat angles P-C4'-P energy: -30.363
tors. eta vs tors. theta energy: -33.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -412.454441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.454441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.454441 (E_RNA)
where:
Base-Base interactions energy: -233.210
where: short stacking energy: -129.435
Base-Backbone interact. energy: -0.719
local terms energy: -178.524808
where:
bonds (distance) C4'-P energy: -46.332
bonds (distance) P-C4' energy: -43.443
flat angles C4'-P-C4' energy: -34.200
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: -27.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -311.166609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.166609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.166609 (E_RNA)
where:
Base-Base interactions energy: -158.937
where: short stacking energy: -101.046
Base-Backbone interact. energy: -0.911
local terms energy: -151.319474
where:
bonds (distance) C4'-P energy: -39.749
bonds (distance) P-C4' energy: -42.502
flat angles C4'-P-C4' energy: -37.529
flat angles P-C4'-P energy: -21.507
tors. eta vs tors. theta energy: -10.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -219.345083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.345083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.345083 (E_RNA)
where:
Base-Base interactions energy: -89.801
where: short stacking energy: -62.245
Base-Backbone interact. energy: 0.705
local terms energy: -130.249028
where:
bonds (distance) C4'-P energy: -35.986
bonds (distance) P-C4' energy: -36.967
flat angles C4'-P-C4' energy: -40.599
flat angles P-C4'-P energy: -15.996
tors. eta vs tors. theta energy: -0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -187.882121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.882121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.882121 (E_RNA)
where:
Base-Base interactions energy: -61.259
where: short stacking energy: -49.633
Base-Backbone interact. energy: 0.504
local terms energy: -127.127627
where:
bonds (distance) C4'-P energy: -34.106
bonds (distance) P-C4' energy: -43.233
flat angles C4'-P-C4' energy: -31.677
flat angles P-C4'-P energy: -15.956
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -174.394958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.394958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.394958 (E_RNA)
where:
Base-Base interactions energy: -37.664
where: short stacking energy: -34.931
Base-Backbone interact. energy: 0.430
local terms energy: -137.161065
where:
bonds (distance) C4'-P energy: -42.590
bonds (distance) P-C4' energy: -32.776
flat angles C4'-P-C4' energy: -36.014
flat angles P-C4'-P energy: -21.990
tors. eta vs tors. theta energy: -3.791
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: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -652.581505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.581505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.581505 (E_RNA)
where:
Base-Base interactions energy: -422.985
where: short stacking energy: -211.954
Base-Backbone interact. energy: 2.487
local terms energy: -232.083227
where:
bonds (distance) C4'-P energy: -41.513
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -43.531
flat angles P-C4'-P energy: -31.985
tors. eta vs tors. theta energy: -65.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -640.961131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.961131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.961131 (E_RNA)
where:
Base-Base interactions energy: -430.410
where: short stacking energy: -183.864
Base-Backbone interact. energy: -1.547
local terms energy: -209.004264
where:
bonds (distance) C4'-P energy: -39.550
bonds (distance) P-C4' energy: -47.026
flat angles C4'-P-C4' energy: -41.496
flat angles P-C4'-P energy: -31.168
tors. eta vs tors. theta energy: -49.764
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: 3, replica: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -535.754153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.754153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.754153 (E_RNA)
where:
Base-Base interactions energy: -332.671
where: short stacking energy: -174.245
Base-Backbone interact. energy: 3.294
local terms energy: -206.377755
where:
bonds (distance) C4'-P energy: -38.302
bonds (distance) P-C4' energy: -42.613
flat angles C4'-P-C4' energy: -45.644
flat angles P-C4'-P energy: -32.591
tors. eta vs tors. theta energy: -47.228
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: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -500.433469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.433469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.433469 (E_RNA)
where:
Base-Base interactions energy: -301.463
where: short stacking energy: -155.450
Base-Backbone interact. energy: 0.029
local terms energy: -198.998975
where:
bonds (distance) C4'-P energy: -42.940
bonds (distance) P-C4' energy: -38.638
flat angles C4'-P-C4' energy: -39.040
flat angles P-C4'-P energy: -35.796
tors. eta vs tors. theta energy: -42.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -455.104790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.104790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.104790 (E_RNA)
where:
Base-Base interactions energy: -255.827
where: short stacking energy: -124.013
Base-Backbone interact. energy: -1.755
local terms energy: -197.522398
where:
bonds (distance) C4'-P energy: -45.211
bonds (distance) P-C4' energy: -49.068
flat angles C4'-P-C4' energy: -41.697
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -34.953
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: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -331.716242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.716242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.716242 (E_RNA)
where:
Base-Base interactions energy: -178.141
where: short stacking energy: -113.695
Base-Backbone interact. energy: -0.628
local terms energy: -152.946935
where:
bonds (distance) C4'-P energy: -35.871
bonds (distance) P-C4' energy: -29.640
flat angles C4'-P-C4' energy: -40.434
flat angles P-C4'-P energy: -19.934
tors. eta vs tors. theta energy: -27.068
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: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -404.207625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.207625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.207625 (E_RNA)
where:
Base-Base interactions energy: -253.019
where: short stacking energy: -113.197
Base-Backbone interact. energy: 0.412
local terms energy: -151.600750
where:
bonds (distance) C4'-P energy: -36.555
bonds (distance) P-C4' energy: -39.538
flat angles C4'-P-C4' energy: -34.140
flat angles P-C4'-P energy: -21.780
tors. eta vs tors. theta energy: -19.587
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: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -221.194531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.194531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.194531 (E_RNA)
where:
Base-Base interactions energy: -71.104
where: short stacking energy: -51.738
Base-Backbone interact. energy: -0.696
local terms energy: -149.394586
where:
bonds (distance) C4'-P energy: -37.032
bonds (distance) P-C4' energy: -43.787
flat angles C4'-P-C4' energy: -37.707
flat angles P-C4'-P energy: -22.876
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: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -206.015886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.015886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.015886 (E_RNA)
where:
Base-Base interactions energy: -92.729
where: short stacking energy: -55.496
Base-Backbone interact. energy: 1.263
local terms energy: -114.550113
where:
bonds (distance) C4'-P energy: -30.519
bonds (distance) P-C4' energy: -47.593
flat angles C4'-P-C4' energy: -29.221
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: 3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -184.497292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.497292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.497292 (E_RNA)
where:
Base-Base interactions energy: -82.753
where: short stacking energy: -69.756
Base-Backbone interact. energy: -1.310
local terms energy: -100.435160
where:
bonds (distance) C4'-P energy: -28.174
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -29.792
flat angles P-C4'-P energy: -17.566
tors. eta vs tors. theta energy: 2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -652.405973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.405973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.405973 (E_RNA)
where:
Base-Base interactions energy: -426.468
where: short stacking energy: -207.369
Base-Backbone interact. energy: -0.123
local terms energy: -225.814051
where:
bonds (distance) C4'-P energy: -45.120
bonds (distance) P-C4' energy: -42.965
flat angles C4'-P-C4' energy: -47.368
flat angles P-C4'-P energy: -27.461
tors. eta vs tors. theta energy: -62.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -633.345247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.345247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.345247 (E_RNA)
where:
Base-Base interactions energy: -441.345
where: short stacking energy: -173.140
Base-Backbone interact. energy: -0.594
local terms energy: -191.406352
where:
bonds (distance) C4'-P energy: -38.865
bonds (distance) P-C4' energy: -46.342
flat angles C4'-P-C4' energy: -40.186
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -52.492
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: 3, replica: 8
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -539.364145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.364145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.364145 (E_RNA)
where:
Base-Base interactions energy: -332.584
where: short stacking energy: -171.538
Base-Backbone interact. energy: -0.318
local terms energy: -206.462998
where:
bonds (distance) C4'-P energy: -32.562
bonds (distance) P-C4' energy: -47.206
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -28.491
tors. eta vs tors. theta energy: -47.031
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: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -508.976809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.976809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.976809 (E_RNA)
where:
Base-Base interactions energy: -304.526
where: short stacking energy: -152.024
Base-Backbone interact. energy: -1.908
local terms energy: -202.543213
where:
bonds (distance) C4'-P energy: -39.546
bonds (distance) P-C4' energy: -40.116
flat angles C4'-P-C4' energy: -45.862
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -48.540
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: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -425.241412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.241412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.241412 (E_RNA)
where:
Base-Base interactions energy: -247.606
where: short stacking energy: -126.790
Base-Backbone interact. energy: -0.321
local terms energy: -177.314699
where:
bonds (distance) C4'-P energy: -42.839
bonds (distance) P-C4' energy: -39.320
flat angles C4'-P-C4' energy: -32.801
flat angles P-C4'-P energy: -28.430
tors. eta vs tors. theta energy: -33.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -369.023406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.023406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.023406 (E_RNA)
where:
Base-Base interactions energy: -190.738
where: short stacking energy: -120.166
Base-Backbone interact. energy: -3.861
local terms energy: -174.424677
where:
bonds (distance) C4'-P energy: -41.224
bonds (distance) P-C4' energy: -36.240
flat angles C4'-P-C4' energy: -42.092
flat angles P-C4'-P energy: -23.046
tors. eta vs tors. theta energy: -31.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -368.474896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.474896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.474896 (E_RNA)
where:
Base-Base interactions energy: -204.626
where: short stacking energy: -95.341
Base-Backbone interact. energy: -0.707
local terms energy: -163.142446
where:
bonds (distance) C4'-P energy: -38.758
bonds (distance) P-C4' energy: -35.599
flat angles C4'-P-C4' energy: -37.503
flat angles P-C4'-P energy: -34.198
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -194.660725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.660725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.660725 (E_RNA)
where:
Base-Base interactions energy: -62.436
where: short stacking energy: -55.219
Base-Backbone interact. energy: 0.950
local terms energy: -133.174254
where:
bonds (distance) C4'-P energy: -42.202
bonds (distance) P-C4' energy: -36.452
flat angles C4'-P-C4' energy: -31.656
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -8.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -199.747488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.747488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.747488 (E_RNA)
where:
Base-Base interactions energy: -76.262
where: short stacking energy: -67.893
Base-Backbone interact. energy: 0.855
local terms energy: -124.340832
where:
bonds (distance) C4'-P energy: -29.795
bonds (distance) P-C4' energy: -30.001
flat angles C4'-P-C4' energy: -32.640
flat angles P-C4'-P energy: -22.184
tors. eta vs tors. theta energy: -9.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -188.478689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.478689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.478689 (E_RNA)
where:
Base-Base interactions energy: -56.599
where: short stacking energy: -52.467
Base-Backbone interact. energy: -0.338
local terms energy: -131.541513
where:
bonds (distance) C4'-P energy: -38.130
bonds (distance) P-C4' energy: -31.993
flat angles C4'-P-C4' energy: -40.874
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -649.789129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.789129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.789129 (E_RNA)
where:
Base-Base interactions energy: -426.434
where: short stacking energy: -194.784
Base-Backbone interact. energy: -0.172
local terms energy: -223.183580
where:
bonds (distance) C4'-P energy: -43.570
bonds (distance) P-C4' energy: -47.012
flat angles C4'-P-C4' energy: -49.002
flat angles P-C4'-P energy: -30.286
tors. eta vs tors. theta energy: -53.313
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: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -626.746228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.746228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.746228 (E_RNA)
where:
Base-Base interactions energy: -425.239
where: short stacking energy: -182.923
Base-Backbone interact. energy: -2.958
local terms energy: -198.549772
where:
bonds (distance) C4'-P energy: -43.825
bonds (distance) P-C4' energy: -42.324
flat angles C4'-P-C4' energy: -36.314
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -51.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -541.814378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.814378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.814378 (E_RNA)
where:
Base-Base interactions energy: -326.754
where: short stacking energy: -162.300
Base-Backbone interact. energy: -0.435
local terms energy: -214.624613
where:
bonds (distance) C4'-P energy: -37.042
bonds (distance) P-C4' energy: -45.087
flat angles C4'-P-C4' energy: -51.619
flat angles P-C4'-P energy: -35.203
tors. eta vs tors. theta energy: -45.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -512.882914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.882914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.882914 (E_RNA)
where:
Base-Base interactions energy: -318.957
where: short stacking energy: -160.828
Base-Backbone interact. energy: 0.610
local terms energy: -194.535189
where:
bonds (distance) C4'-P energy: -41.321
bonds (distance) P-C4' energy: -46.673
flat angles C4'-P-C4' energy: -38.159
flat angles P-C4'-P energy: -29.021
tors. eta vs tors. theta energy: -39.362
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: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -418.752635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.752635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.752635 (E_RNA)
where:
Base-Base interactions energy: -236.700
where: short stacking energy: -118.225
Base-Backbone interact. energy: -0.849
local terms energy: -181.202915
where:
bonds (distance) C4'-P energy: -44.440
bonds (distance) P-C4' energy: -47.243
flat angles C4'-P-C4' energy: -32.917
flat angles P-C4'-P energy: -27.542
tors. eta vs tors. theta energy: -29.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -382.826571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.826571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.826571 (E_RNA)
where:
Base-Base interactions energy: -222.186
where: short stacking energy: -92.414
Base-Backbone interact. energy: 1.507
local terms energy: -162.147506
where:
bonds (distance) C4'-P energy: -36.607
bonds (distance) P-C4' energy: -43.202
flat angles C4'-P-C4' energy: -43.412
flat angles P-C4'-P energy: -30.526
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -345.592673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.592673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.592673 (E_RNA)
where:
Base-Base interactions energy: -195.253
where: short stacking energy: -99.231
Base-Backbone interact. energy: -1.441
local terms energy: -148.899123
where:
bonds (distance) C4'-P energy: -43.313
bonds (distance) P-C4' energy: -38.258
flat angles C4'-P-C4' energy: -35.969
flat angles P-C4'-P energy: -20.018
tors. eta vs tors. theta energy: -11.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -210.333188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.333188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.333188 (E_RNA)
where:
Base-Base interactions energy: -89.454
where: short stacking energy: -57.565
Base-Backbone interact. energy: 0.638
local terms energy: -121.517774
where:
bonds (distance) C4'-P energy: -37.012
bonds (distance) P-C4' energy: -34.588
flat angles C4'-P-C4' energy: -42.580
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: 7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -218.805318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.805318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.805318 (E_RNA)
where:
Base-Base interactions energy: -83.650
where: short stacking energy: -63.588
Base-Backbone interact. energy: 3.696
local terms energy: -138.851443
where:
bonds (distance) C4'-P energy: -28.125
bonds (distance) P-C4' energy: -38.213
flat angles C4'-P-C4' energy: -35.279
flat angles P-C4'-P energy: -23.736
tors. eta vs tors. theta energy: -13.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -187.860631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.860631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.860631 (E_RNA)
where:
Base-Base interactions energy: -64.110
where: short stacking energy: -63.345
Base-Backbone interact. energy: 1.189
local terms energy: -124.939023
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -40.697
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -679.814950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.814950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.814950 (E_RNA)
where:
Base-Base interactions energy: -444.307
where: short stacking energy: -192.667
Base-Backbone interact. energy: -1.292
local terms energy: -234.215446
where:
bonds (distance) C4'-P energy: -47.951
bonds (distance) P-C4' energy: -49.036
flat angles C4'-P-C4' energy: -50.082
flat angles P-C4'-P energy: -33.103
tors. eta vs tors. theta energy: -54.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -644.963615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.963615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.963615 (E_RNA)
where:
Base-Base interactions energy: -428.961
where: short stacking energy: -208.540
Base-Backbone interact. energy: -0.508
local terms energy: -215.495023
where:
bonds (distance) C4'-P energy: -40.185
bonds (distance) P-C4' energy: -39.069
flat angles C4'-P-C4' energy: -48.948
flat angles P-C4'-P energy: -28.925
tors. eta vs tors. theta energy: -58.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -504.841418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.841418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.841418 (E_RNA)
where:
Base-Base interactions energy: -320.097
where: short stacking energy: -147.891
Base-Backbone interact. energy: -0.495
local terms energy: -184.250057
where:
bonds (distance) C4'-P energy: -43.358
bonds (distance) P-C4' energy: -43.161
flat angles C4'-P-C4' energy: -39.461
flat angles P-C4'-P energy: -24.858
tors. eta vs tors. theta energy: -33.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -515.698955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.698955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.698955 (E_RNA)
where:
Base-Base interactions energy: -329.148
where: short stacking energy: -164.591
Base-Backbone interact. energy: -0.146
local terms energy: -186.405010
where:
bonds (distance) C4'-P energy: -38.420
bonds (distance) P-C4' energy: -41.893
flat angles C4'-P-C4' energy: -39.823
flat angles P-C4'-P energy: -27.322
tors. eta vs tors. theta energy: -38.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -397.055104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.055104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.055104 (E_RNA)
where:
Base-Base interactions energy: -237.444
where: short stacking energy: -127.957
Base-Backbone interact. energy: -0.242
local terms energy: -159.368699
where:
bonds (distance) C4'-P energy: -35.538
bonds (distance) P-C4' energy: -32.038
flat angles C4'-P-C4' energy: -43.976
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -26.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -406.869447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.869447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.869447 (E_RNA)
where:
Base-Base interactions energy: -238.779
where: short stacking energy: -113.855
Base-Backbone interact. energy: -0.227
local terms energy: -167.862646
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -35.310
flat angles C4'-P-C4' energy: -41.635
flat angles P-C4'-P energy: -27.598
tors. eta vs tors. theta energy: -30.860
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: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -378.967749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.967749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.967749 (E_RNA)
where:
Base-Base interactions energy: -219.452
where: short stacking energy: -110.852
Base-Backbone interact. energy: -0.918
local terms energy: -158.598540
where:
bonds (distance) C4'-P energy: -38.146
bonds (distance) P-C4' energy: -40.860
flat angles C4'-P-C4' energy: -40.566
flat angles P-C4'-P energy: -18.442
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -227.391434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.391434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.391434 (E_RNA)
where:
Base-Base interactions energy: -89.413
where: short stacking energy: -71.674
Base-Backbone interact. energy: -0.230
local terms energy: -137.748257
where:
bonds (distance) C4'-P energy: -38.896
bonds (distance) P-C4' energy: -32.594
flat angles C4'-P-C4' energy: -34.068
flat angles P-C4'-P energy: -27.859
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -205.266732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.266732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.266732 (E_RNA)
where:
Base-Base interactions energy: -68.923
where: short stacking energy: -61.557
Base-Backbone interact. energy: -0.696
local terms energy: -135.648518
where:
bonds (distance) C4'-P energy: -30.711
bonds (distance) P-C4' energy: -43.335
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -178.556676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.556676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.556676 (E_RNA)
where:
Base-Base interactions energy: -54.539
where: short stacking energy: -50.443
Base-Backbone interact. energy: 0.182
local terms energy: -124.199934
where:
bonds (distance) C4'-P energy: -36.351
bonds (distance) P-C4' energy: -43.745
flat angles C4'-P-C4' energy: -22.568
flat angles P-C4'-P energy: -23.968
tors. eta vs tors. theta energy: 2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -664.832695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.832695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.832695 (E_RNA)
where:
Base-Base interactions energy: -460.714
where: short stacking energy: -188.788
Base-Backbone interact. energy: -1.165
local terms energy: -202.953501
where:
bonds (distance) C4'-P energy: -44.847
bonds (distance) P-C4' energy: -42.151
flat angles C4'-P-C4' energy: -33.183
flat angles P-C4'-P energy: -31.681
tors. eta vs tors. theta energy: -51.092
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: 5
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -649.679682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.679682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.679682 (E_RNA)
where:
Base-Base interactions energy: -429.038
where: short stacking energy: -204.650
Base-Backbone interact. energy: -0.105
local terms energy: -220.536741
where:
bonds (distance) C4'-P energy: -37.892
bonds (distance) P-C4' energy: -42.554
flat angles C4'-P-C4' energy: -45.994
flat angles P-C4'-P energy: -36.651
tors. eta vs tors. theta energy: -57.445
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: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -514.733692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.733692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.733692 (E_RNA)
where:
Base-Base interactions energy: -313.642
where: short stacking energy: -146.962
Base-Backbone interact. energy: 1.049
local terms energy: -202.140425
where:
bonds (distance) C4'-P energy: -39.962
bonds (distance) P-C4' energy: -43.866
flat angles C4'-P-C4' energy: -47.070
flat angles P-C4'-P energy: -31.309
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: 4, replica: 8
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -511.297816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.297816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.297816 (E_RNA)
where:
Base-Base interactions energy: -315.240
where: short stacking energy: -165.034
Base-Backbone interact. energy: -0.720
local terms energy: -195.337106
where:
bonds (distance) C4'-P energy: -35.697
bonds (distance) P-C4' energy: -44.707
flat angles C4'-P-C4' energy: -45.719
flat angles P-C4'-P energy: -24.482
tors. eta vs tors. theta energy: -44.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -405.246968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.246968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.246968 (E_RNA)
where:
Base-Base interactions energy: -225.244
where: short stacking energy: -124.910
Base-Backbone interact. energy: 0.365
local terms energy: -180.368271
where:
bonds (distance) C4'-P energy: -43.185
bonds (distance) P-C4' energy: -47.903
flat angles C4'-P-C4' energy: -41.335
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -420.474092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.474092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.474092 (E_RNA)
where:
Base-Base interactions energy: -238.207
where: short stacking energy: -113.339
Base-Backbone interact. energy: -0.492
local terms energy: -181.774621
where:
bonds (distance) C4'-P energy: -38.790
bonds (distance) P-C4' energy: -43.396
flat angles C4'-P-C4' energy: -45.364
flat angles P-C4'-P energy: -30.444
tors. eta vs tors. theta energy: -23.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -417.460908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.460908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.460908 (E_RNA)
where:
Base-Base interactions energy: -233.205
where: short stacking energy: -108.453
Base-Backbone interact. energy: 1.132
local terms energy: -185.387729
where:
bonds (distance) C4'-P energy: -47.061
bonds (distance) P-C4' energy: -39.490
flat angles C4'-P-C4' energy: -43.190
flat angles P-C4'-P energy: -28.773
tors. eta vs tors. theta energy: -26.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -216.288842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.288842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.288842 (E_RNA)
where:
Base-Base interactions energy: -73.540
where: short stacking energy: -68.276
Base-Backbone interact. energy: 0.453
local terms energy: -143.202056
where:
bonds (distance) C4'-P energy: -33.423
bonds (distance) P-C4' energy: -37.606
flat angles C4'-P-C4' energy: -28.315
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -234.687161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.687161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.687161 (E_RNA)
where:
Base-Base interactions energy: -94.287
where: short stacking energy: -63.602
Base-Backbone interact. energy: -0.402
local terms energy: -139.998626
where:
bonds (distance) C4'-P energy: -42.556
bonds (distance) P-C4' energy: -38.488
flat angles C4'-P-C4' energy: -33.591
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -176.576981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.576981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.576981 (E_RNA)
where:
Base-Base interactions energy: -71.678
where: short stacking energy: -58.233
Base-Backbone interact. energy: -0.389
local terms energy: -104.510375
where:
bonds (distance) C4'-P energy: -31.866
bonds (distance) P-C4' energy: -45.290
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -0.006
tors. eta vs tors. theta energy: 1.599
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: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -659.440023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.440023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.440023 (E_RNA)
where:
Base-Base interactions energy: -423.546
where: short stacking energy: -189.317
Base-Backbone interact. energy: -0.428
local terms energy: -235.465169
where:
bonds (distance) C4'-P energy: -51.806
bonds (distance) P-C4' energy: -46.678
flat angles C4'-P-C4' energy: -48.129
flat angles P-C4'-P energy: -30.566
tors. eta vs tors. theta energy: -58.286
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: 2, replica: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -659.813082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.813082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.813082 (E_RNA)
where:
Base-Base interactions energy: -453.128
where: short stacking energy: -181.053
Base-Backbone interact. energy: 0.343
local terms energy: -207.028051
where:
bonds (distance) C4'-P energy: -39.533
bonds (distance) P-C4' energy: -47.073
flat angles C4'-P-C4' energy: -45.779
flat angles P-C4'-P energy: -35.147
tors. eta vs tors. theta energy: -39.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -542.643110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.643110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.643110 (E_RNA)
where:
Base-Base interactions energy: -333.277
where: short stacking energy: -167.563
Base-Backbone interact. energy: -0.140
local terms energy: -209.226820
where:
bonds (distance) C4'-P energy: -48.683
bonds (distance) P-C4' energy: -33.979
flat angles C4'-P-C4' energy: -38.389
flat angles P-C4'-P energy: -35.115
tors. eta vs tors. theta energy: -53.061
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: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -507.426839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.426839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.426839 (E_RNA)
where:
Base-Base interactions energy: -315.609
where: short stacking energy: -158.875
Base-Backbone interact. energy: -0.531
local terms energy: -191.287129
where:
bonds (distance) C4'-P energy: -35.893
bonds (distance) P-C4' energy: -46.828
flat angles C4'-P-C4' energy: -44.038
flat angles P-C4'-P energy: -25.342
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: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -428.625871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.625871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.625871 (E_RNA)
where:
Base-Base interactions energy: -250.722
where: short stacking energy: -130.483
Base-Backbone interact. energy: -0.478
local terms energy: -177.425819
where:
bonds (distance) C4'-P energy: -40.632
bonds (distance) P-C4' energy: -44.820
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -33.858
tors. eta vs tors. theta energy: -24.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -362.008398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.008398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.008398 (E_RNA)
where:
Base-Base interactions energy: -196.814
where: short stacking energy: -100.090
Base-Backbone interact. energy: -0.427
local terms energy: -164.767234
where:
bonds (distance) C4'-P energy: -39.645
bonds (distance) P-C4' energy: -41.173
flat angles C4'-P-C4' energy: -30.171
flat angles P-C4'-P energy: -31.308
tors. eta vs tors. theta energy: -22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -370.468257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.468257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.468257 (E_RNA)
where:
Base-Base interactions energy: -210.654
where: short stacking energy: -104.099
Base-Backbone interact. energy: 0.185
local terms energy: -159.999091
where:
bonds (distance) C4'-P energy: -36.973
bonds (distance) P-C4' energy: -39.812
flat angles C4'-P-C4' energy: -45.325
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -204.504227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.504227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.504227 (E_RNA)
where:
Base-Base interactions energy: -86.953
where: short stacking energy: -74.234
Base-Backbone interact. energy: -0.871
local terms energy: -116.680916
where:
bonds (distance) C4'-P energy: -29.754
bonds (distance) P-C4' energy: -40.795
flat angles C4'-P-C4' energy: -27.206
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -200.596381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.596381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.596381 (E_RNA)
where:
Base-Base interactions energy: -73.402
where: short stacking energy: -66.800
Base-Backbone interact. energy: -0.900
local terms energy: -126.294241
where:
bonds (distance) C4'-P energy: -29.741
bonds (distance) P-C4' energy: -41.896
flat angles C4'-P-C4' energy: -33.999
flat angles P-C4'-P energy: -17.446
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: 2
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -180.955862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.955862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.955862 (E_RNA)
where:
Base-Base interactions energy: -55.167
where: short stacking energy: -34.532
Base-Backbone interact. energy: 1.781
local terms energy: -127.570574
where:
bonds (distance) C4'-P energy: -34.608
bonds (distance) P-C4' energy: -40.258
flat angles C4'-P-C4' energy: -35.745
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: 6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -654.488799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.488799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.488799 (E_RNA)
where:
Base-Base interactions energy: -420.156
where: short stacking energy: -206.860
Base-Backbone interact. energy: -0.760
local terms energy: -233.572131
where:
bonds (distance) C4'-P energy: -44.118
bonds (distance) P-C4' energy: -42.345
flat angles C4'-P-C4' energy: -48.750
flat angles P-C4'-P energy: -33.857
tors. eta vs tors. theta energy: -64.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -645.610253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.610253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.610253 (E_RNA)
where:
Base-Base interactions energy: -430.599
where: short stacking energy: -166.724
Base-Backbone interact. energy: -2.200
local terms energy: -212.810807
where:
bonds (distance) C4'-P energy: -47.109
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -47.268
flat angles P-C4'-P energy: -29.526
tors. eta vs tors. theta energy: -44.584
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: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -548.906702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.906702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.906702 (E_RNA)
where:
Base-Base interactions energy: -330.659
where: short stacking energy: -166.103
Base-Backbone interact. energy: -0.109
local terms energy: -218.138952
where:
bonds (distance) C4'-P energy: -43.968
bonds (distance) P-C4' energy: -46.698
flat angles C4'-P-C4' energy: -42.771
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -53.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -500.536396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.536396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.536396 (E_RNA)
where:
Base-Base interactions energy: -315.469
where: short stacking energy: -161.430
Base-Backbone interact. energy: -0.387
local terms energy: -184.679469
where:
bonds (distance) C4'-P energy: -34.405
bonds (distance) P-C4' energy: -41.715
flat angles C4'-P-C4' energy: -41.442
flat angles P-C4'-P energy: -30.086
tors. eta vs tors. theta energy: -37.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -408.470642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.470642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.470642 (E_RNA)
where:
Base-Base interactions energy: -230.254
where: short stacking energy: -129.768
Base-Backbone interact. energy: -0.460
local terms energy: -177.756515
where:
bonds (distance) C4'-P energy: -39.284
bonds (distance) P-C4' energy: -43.983
flat angles C4'-P-C4' energy: -38.883
flat angles P-C4'-P energy: -23.671
tors. eta vs tors. theta energy: -31.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -394.193276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.193276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.193276 (E_RNA)
where:
Base-Base interactions energy: -218.779
where: short stacking energy: -119.194
Base-Backbone interact. energy: 0.624
local terms energy: -176.038415
where:
bonds (distance) C4'-P energy: -29.530
bonds (distance) P-C4' energy: -51.724
flat angles C4'-P-C4' energy: -41.011
flat angles P-C4'-P energy: -27.063
tors. eta vs tors. theta energy: -26.711
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: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -384.331280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.331280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.331280 (E_RNA)
where:
Base-Base interactions energy: -227.654
where: short stacking energy: -109.902
Base-Backbone interact. energy: -0.820
local terms energy: -155.857737
where:
bonds (distance) C4'-P energy: -33.689
bonds (distance) P-C4' energy: -38.335
flat angles C4'-P-C4' energy: -38.438
flat angles P-C4'-P energy: -22.878
tors. eta vs tors. theta energy: -22.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -208.258831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.258831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.258831 (E_RNA)
where:
Base-Base interactions energy: -70.093
where: short stacking energy: -48.463
Base-Backbone interact. energy: -0.487
local terms energy: -137.678457
where:
bonds (distance) C4'-P energy: -50.029
bonds (distance) P-C4' energy: -33.958
flat angles C4'-P-C4' energy: -33.635
flat angles P-C4'-P energy: -22.019
tors. eta vs tors. theta energy: 1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -179.368496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.368496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.368496 (E_RNA)
where:
Base-Base interactions energy: -53.290
where: short stacking energy: -49.649
Base-Backbone interact. energy: -0.525
local terms energy: -125.553563
where:
bonds (distance) C4'-P energy: -37.262
bonds (distance) P-C4' energy: -30.014
flat angles C4'-P-C4' energy: -38.291
flat angles P-C4'-P energy: -18.742
tors. eta vs tors. theta energy: -1.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -191.784356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.784356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.784356 (E_RNA)
where:
Base-Base interactions energy: -48.778
where: short stacking energy: -42.330
Base-Backbone interact. energy: -0.476
local terms energy: -142.530328
where:
bonds (distance) C4'-P energy: -33.060
bonds (distance) P-C4' energy: -51.583
flat angles C4'-P-C4' energy: -37.725
flat angles P-C4'-P energy: -22.102
tors. eta vs tors. theta energy: 1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -661.461342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.461342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.461342 (E_RNA)
where:
Base-Base interactions energy: -423.657
where: short stacking energy: -210.742
Base-Backbone interact. energy: -0.940
local terms energy: -236.864171
where:
bonds (distance) C4'-P energy: -50.690
bonds (distance) P-C4' energy: -41.520
flat angles C4'-P-C4' energy: -45.976
flat angles P-C4'-P energy: -30.784
tors. eta vs tors. theta energy: -67.894
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: 460
Temperature: 0.950000
Total energy: -656.202204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.202204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.202204 (E_RNA)
where:
Base-Base interactions energy: -441.308
where: short stacking energy: -185.553
Base-Backbone interact. energy: -0.556
local terms energy: -214.338695
where:
bonds (distance) C4'-P energy: -47.676
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -40.065
flat angles P-C4'-P energy: -32.982
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: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -539.203340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.203340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.203340 (E_RNA)
where:
Base-Base interactions energy: -332.659
where: short stacking energy: -158.216
Base-Backbone interact. energy: -0.378
local terms energy: -206.166300
where:
bonds (distance) C4'-P energy: -38.867
bonds (distance) P-C4' energy: -44.094
flat angles C4'-P-C4' energy: -48.266
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -44.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -490.904704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.904704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.904704 (E_RNA)
where:
Base-Base interactions energy: -298.798
where: short stacking energy: -141.962
Base-Backbone interact. energy: -0.738
local terms energy: -191.368522
where:
bonds (distance) C4'-P energy: -46.936
bonds (distance) P-C4' energy: -38.727
flat angles C4'-P-C4' energy: -46.688
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -29.838
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: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -414.396593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.396593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.396593 (E_RNA)
where:
Base-Base interactions energy: -246.154
where: short stacking energy: -116.046
Base-Backbone interact. energy: -0.462
local terms energy: -167.780304
where:
bonds (distance) C4'-P energy: -38.860
bonds (distance) P-C4' energy: -38.560
flat angles C4'-P-C4' energy: -34.161
flat angles P-C4'-P energy: -32.941
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -408.385505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.385505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.385505 (E_RNA)
where:
Base-Base interactions energy: -233.645
where: short stacking energy: -133.174
Base-Backbone interact. energy: -0.772
local terms energy: -173.968026
where:
bonds (distance) C4'-P energy: -36.133
bonds (distance) P-C4' energy: -38.676
flat angles C4'-P-C4' energy: -36.992
flat angles P-C4'-P energy: -30.709
tors. eta vs tors. theta energy: -31.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -344.008204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.008204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.008204 (E_RNA)
where:
Base-Base interactions energy: -197.985
where: short stacking energy: -105.229
Base-Backbone interact. energy: -0.814
local terms energy: -145.209223
where:
bonds (distance) C4'-P energy: -34.261
bonds (distance) P-C4' energy: -45.109
flat angles C4'-P-C4' energy: -32.954
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -205.175489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.175489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.175489 (E_RNA)
where:
Base-Base interactions energy: -78.793
where: short stacking energy: -58.377
Base-Backbone interact. energy: 0.265
local terms energy: -126.647636
where:
bonds (distance) C4'-P energy: -41.874
bonds (distance) P-C4' energy: -42.229
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -188.166533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.166533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.166533 (E_RNA)
where:
Base-Base interactions energy: -79.911
where: short stacking energy: -75.991
Base-Backbone interact. energy: -0.229
local terms energy: -108.027182
where:
bonds (distance) C4'-P energy: -32.312
bonds (distance) P-C4' energy: -35.806
flat angles C4'-P-C4' energy: -23.566
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -203.131692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.131692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.131692 (E_RNA)
where:
Base-Base interactions energy: -67.170
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.391
local terms energy: -135.571517
where:
bonds (distance) C4'-P energy: -40.908
bonds (distance) P-C4' energy: -36.880
flat angles C4'-P-C4' energy: -40.295
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -638.216264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.216264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.216264 (E_RNA)
where:
Base-Base interactions energy: -419.909
where: short stacking energy: -199.607
Base-Backbone interact. energy: -0.906
local terms energy: -217.401851
where:
bonds (distance) C4'-P energy: -35.437
bonds (distance) P-C4' energy: -46.645
flat angles C4'-P-C4' energy: -44.299
flat angles P-C4'-P energy: -32.438
tors. eta vs tors. theta energy: -58.583
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: 461
Temperature: 0.950000
Total energy: -665.292092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.292092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.292092 (E_RNA)
where:
Base-Base interactions energy: -447.584
where: short stacking energy: -199.009
Base-Backbone interact. energy: 1.978
local terms energy: -219.685246
where:
bonds (distance) C4'-P energy: -45.132
bonds (distance) P-C4' energy: -46.849
flat angles C4'-P-C4' energy: -45.284
flat angles P-C4'-P energy: -26.805
tors. eta vs tors. theta energy: -55.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -518.152081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.152081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.152081 (E_RNA)
where:
Base-Base interactions energy: -333.276
where: short stacking energy: -145.558
Base-Backbone interact. energy: -1.227
local terms energy: -183.649001
where:
bonds (distance) C4'-P energy: -35.507
bonds (distance) P-C4' energy: -41.356
flat angles C4'-P-C4' energy: -47.966
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -32.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -517.853907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.853907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.853907 (E_RNA)
where:
Base-Base interactions energy: -330.366
where: short stacking energy: -162.211
Base-Backbone interact. energy: 1.375
local terms energy: -188.863110
where:
bonds (distance) C4'-P energy: -40.481
bonds (distance) P-C4' energy: -37.447
flat angles C4'-P-C4' energy: -44.661
flat angles P-C4'-P energy: -22.523
tors. eta vs tors. theta energy: -43.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -427.167018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.167018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.167018 (E_RNA)
where:
Base-Base interactions energy: -247.483
where: short stacking energy: -129.744
Base-Backbone interact. energy: -0.371
local terms energy: -179.313428
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -43.676
flat angles C4'-P-C4' energy: -48.369
flat angles P-C4'-P energy: -29.558
tors. eta vs tors. theta energy: -29.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -387.887487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.887487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.887487 (E_RNA)
where:
Base-Base interactions energy: -225.457
where: short stacking energy: -120.397
Base-Backbone interact. energy: 1.178
local terms energy: -163.608895
where:
bonds (distance) C4'-P energy: -39.818
bonds (distance) P-C4' energy: -38.994
flat angles C4'-P-C4' energy: -35.684
flat angles P-C4'-P energy: -24.694
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -389.590314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.590314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.590314 (E_RNA)
where:
Base-Base interactions energy: -223.692
where: short stacking energy: -104.889
Base-Backbone interact. energy: -2.082
local terms energy: -163.816715
where:
bonds (distance) C4'-P energy: -35.310
bonds (distance) P-C4' energy: -39.131
flat angles C4'-P-C4' energy: -35.660
flat angles P-C4'-P energy: -32.381
tors. eta vs tors. theta energy: -21.335
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: 2
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -221.635722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.635722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.635722 (E_RNA)
where:
Base-Base interactions energy: -83.361
where: short stacking energy: -69.060
Base-Backbone interact. energy: -0.307
local terms energy: -137.967907
where:
bonds (distance) C4'-P energy: -34.051
bonds (distance) P-C4' energy: -42.140
flat angles C4'-P-C4' energy: -41.132
flat angles P-C4'-P energy: -17.400
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: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -210.239679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.239679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.239679 (E_RNA)
where:
Base-Base interactions energy: -79.511
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.495
local terms energy: -130.233722
where:
bonds (distance) C4'-P energy: -39.741
bonds (distance) P-C4' energy: -31.625
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -177.328665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.328665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.328665 (E_RNA)
where:
Base-Base interactions energy: -71.083
where: short stacking energy: -55.290
Base-Backbone interact. energy: 0.709
local terms energy: -106.954687
where:
bonds (distance) C4'-P energy: -35.840
bonds (distance) P-C4' energy: -35.080
flat angles C4'-P-C4' energy: -25.662
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -645.155675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.155675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.155675 (E_RNA)
where:
Base-Base interactions energy: -406.617
where: short stacking energy: -202.745
Base-Backbone interact. energy: -0.103
local terms energy: -238.435052
where:
bonds (distance) C4'-P energy: -49.386
bonds (distance) P-C4' energy: -45.293
flat angles C4'-P-C4' energy: -48.316
flat angles P-C4'-P energy: -37.772
tors. eta vs tors. theta energy: -57.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -650.796842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.796842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.796842 (E_RNA)
where:
Base-Base interactions energy: -446.090
where: short stacking energy: -175.700
Base-Backbone interact. energy: -1.522
local terms energy: -203.185061
where:
bonds (distance) C4'-P energy: -34.335
bonds (distance) P-C4' energy: -43.123
flat angles C4'-P-C4' energy: -46.107
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: -49.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -536.451769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.451769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.451769 (E_RNA)
where:
Base-Base interactions energy: -328.762
where: short stacking energy: -177.195
Base-Backbone interact. energy: 0.384
local terms energy: -208.073984
where:
bonds (distance) C4'-P energy: -41.720
bonds (distance) P-C4' energy: -42.515
flat angles C4'-P-C4' energy: -41.682
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -60.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -493.229825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.229825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.229825 (E_RNA)
where:
Base-Base interactions energy: -292.471
where: short stacking energy: -146.459
Base-Backbone interact. energy: -0.784
local terms energy: -199.975111
where:
bonds (distance) C4'-P energy: -39.524
bonds (distance) P-C4' energy: -38.330
flat angles C4'-P-C4' energy: -45.434
flat angles P-C4'-P energy: -30.063
tors. eta vs tors. theta energy: -46.624
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: 462
Temperature: 1.100000
Total energy: -399.569757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.569757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.569757 (E_RNA)
where:
Base-Base interactions energy: -246.125
where: short stacking energy: -121.532
Base-Backbone interact. energy: 3.033
local terms energy: -156.478308
where:
bonds (distance) C4'-P energy: -39.607
bonds (distance) P-C4' energy: -33.268
flat angles C4'-P-C4' energy: -35.582
flat angles P-C4'-P energy: -22.853
tors. eta vs tors. theta energy: -25.168
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: 4
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -419.452303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.452303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.452303 (E_RNA)
where:
Base-Base interactions energy: -256.790
where: short stacking energy: -141.309
Base-Backbone interact. energy: -0.927
local terms energy: -161.734891
where:
bonds (distance) C4'-P energy: -45.134
bonds (distance) P-C4' energy: -37.856
flat angles C4'-P-C4' energy: -30.908
flat angles P-C4'-P energy: -19.080
tors. eta vs tors. theta energy: -28.757
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: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -363.980283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.980283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.980283 (E_RNA)
where:
Base-Base interactions energy: -208.221
where: short stacking energy: -116.001
Base-Backbone interact. energy: -0.669
local terms energy: -155.090861
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -38.914
flat angles C4'-P-C4' energy: -29.610
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: -26.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -221.081937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.081937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.081937 (E_RNA)
where:
Base-Base interactions energy: -79.785
where: short stacking energy: -67.449
Base-Backbone interact. energy: -0.952
local terms energy: -140.344481
where:
bonds (distance) C4'-P energy: -43.199
bonds (distance) P-C4' energy: -41.965
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -18.808
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -205.780865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.780865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.780865 (E_RNA)
where:
Base-Base interactions energy: -70.676
where: short stacking energy: -59.778
Base-Backbone interact. energy: -0.420
local terms energy: -134.685221
where:
bonds (distance) C4'-P energy: -45.281
bonds (distance) P-C4' energy: -34.593
flat angles C4'-P-C4' energy: -28.565
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -11.744
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: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -201.428439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.428439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.428439 (E_RNA)
where:
Base-Base interactions energy: -81.298
where: short stacking energy: -52.448
Base-Backbone interact. energy: 0.536
local terms energy: -120.666656
where:
bonds (distance) C4'-P energy: -33.968
bonds (distance) P-C4' energy: -38.851
flat angles C4'-P-C4' energy: -35.518
flat angles P-C4'-P energy: -19.446
tors. eta vs tors. theta energy: 7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -632.390793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.390793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.390793 (E_RNA)
where:
Base-Base interactions energy: -410.913
where: short stacking energy: -195.665
Base-Backbone interact. energy: -2.150
local terms energy: -219.327644
where:
bonds (distance) C4'-P energy: -45.674
bonds (distance) P-C4' energy: -41.115
flat angles C4'-P-C4' energy: -48.304
flat angles P-C4'-P energy: -28.544
tors. eta vs tors. theta energy: -55.691
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: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -629.054598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.054598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.054598 (E_RNA)
where:
Base-Base interactions energy: -427.352
where: short stacking energy: -176.676
Base-Backbone interact. energy: -0.742
local terms energy: -200.960505
where:
bonds (distance) C4'-P energy: -34.993
bonds (distance) P-C4' energy: -42.185
flat angles C4'-P-C4' energy: -38.998
flat angles P-C4'-P energy: -33.243
tors. eta vs tors. theta energy: -51.541
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: 8
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -577.096904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.096904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.096904 (E_RNA)
where:
Base-Base interactions energy: -365.013
where: short stacking energy: -196.032
Base-Backbone interact. energy: -0.420
local terms energy: -211.664364
where:
bonds (distance) C4'-P energy: -40.205
bonds (distance) P-C4' energy: -43.036
flat angles C4'-P-C4' energy: -44.974
flat angles P-C4'-P energy: -32.597
tors. eta vs tors. theta energy: -50.852
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: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -509.074002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.074002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.074002 (E_RNA)
where:
Base-Base interactions energy: -316.033
where: short stacking energy: -142.588
Base-Backbone interact. energy: -0.361
local terms energy: -192.679576
where:
bonds (distance) C4'-P energy: -36.367
bonds (distance) P-C4' energy: -48.165
flat angles C4'-P-C4' energy: -38.733
flat angles P-C4'-P energy: -29.796
tors. eta vs tors. theta energy: -39.619
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: 463
Temperature: 1.100000
Total energy: -439.452849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.452849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.452849 (E_RNA)
where:
Base-Base interactions energy: -258.422
where: short stacking energy: -135.850
Base-Backbone interact. energy: -0.729
local terms energy: -180.302282
where:
bonds (distance) C4'-P energy: -28.109
bonds (distance) P-C4' energy: -51.232
flat angles C4'-P-C4' energy: -38.135
flat angles P-C4'-P energy: -34.245
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: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -436.046110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.046110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.046110 (E_RNA)
where:
Base-Base interactions energy: -260.455
where: short stacking energy: -116.957
Base-Backbone interact. energy: -0.257
local terms energy: -175.334253
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -38.106
flat angles C4'-P-C4' energy: -45.174
flat angles P-C4'-P energy: -25.408
tors. eta vs tors. theta energy: -26.410
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: 463
Temperature: 1.200000
Total energy: -394.571332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.571332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.571332 (E_RNA)
where:
Base-Base interactions energy: -216.982
where: short stacking energy: -113.355
Base-Backbone interact. energy: 0.441
local terms energy: -178.029917
where:
bonds (distance) C4'-P energy: -41.742
bonds (distance) P-C4' energy: -42.144
flat angles C4'-P-C4' energy: -42.153
flat angles P-C4'-P energy: -25.957
tors. eta vs tors. theta energy: -26.034
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: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -202.062706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.062706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.062706 (E_RNA)
where:
Base-Base interactions energy: -72.059
where: short stacking energy: -57.101
Base-Backbone interact. energy: -1.162
local terms energy: -128.841591
where:
bonds (distance) C4'-P energy: -27.843
bonds (distance) P-C4' energy: -36.418
flat angles C4'-P-C4' energy: -37.006
flat angles P-C4'-P energy: -25.105
tors. eta vs tors. theta energy: -2.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -193.889753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.889753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.889753 (E_RNA)
where:
Base-Base interactions energy: -68.350
where: short stacking energy: -58.868
Base-Backbone interact. energy: -1.393
local terms energy: -124.146783
where:
bonds (distance) C4'-P energy: -29.978
bonds (distance) P-C4' energy: -45.445
flat angles C4'-P-C4' energy: -31.426
flat angles P-C4'-P energy: -16.578
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: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -194.550525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.550525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.550525 (E_RNA)
where:
Base-Base interactions energy: -69.742
where: short stacking energy: -64.120
Base-Backbone interact. energy: 2.090
local terms energy: -126.898757
where:
bonds (distance) C4'-P energy: -37.378
bonds (distance) P-C4' energy: -35.644
flat angles C4'-P-C4' energy: -37.300
flat angles P-C4'-P energy: -17.957
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: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -662.117140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.117140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.117140 (E_RNA)
where:
Base-Base interactions energy: -422.337
where: short stacking energy: -202.665
Base-Backbone interact. energy: -0.550
local terms energy: -239.229491
where:
bonds (distance) C4'-P energy: -48.534
bonds (distance) P-C4' energy: -47.251
flat angles C4'-P-C4' energy: -50.023
flat angles P-C4'-P energy: -31.870
tors. eta vs tors. theta energy: -61.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -632.593430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.593430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.593430 (E_RNA)
where:
Base-Base interactions energy: -438.592
where: short stacking energy: -183.488
Base-Backbone interact. energy: 1.009
local terms energy: -195.009807
where:
bonds (distance) C4'-P energy: -41.857
bonds (distance) P-C4' energy: -35.031
flat angles C4'-P-C4' energy: -42.253
flat angles P-C4'-P energy: -24.963
tors. eta vs tors. theta energy: -50.906
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: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -552.792916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.792916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.792916 (E_RNA)
where:
Base-Base interactions energy: -353.044
where: short stacking energy: -178.735
Base-Backbone interact. energy: -0.326
local terms energy: -199.422241
where:
bonds (distance) C4'-P energy: -35.845
bonds (distance) P-C4' energy: -42.874
flat angles C4'-P-C4' energy: -40.708
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -55.473
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: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -518.611305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.611305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.611305 (E_RNA)
where:
Base-Base interactions energy: -335.627
where: short stacking energy: -158.566
Base-Backbone interact. energy: -0.347
local terms energy: -182.638019
where:
bonds (distance) C4'-P energy: -37.705
bonds (distance) P-C4' energy: -34.423
flat angles C4'-P-C4' energy: -43.447
flat angles P-C4'-P energy: -25.627
tors. eta vs tors. theta energy: -41.437
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: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -454.091303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.091303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.091303 (E_RNA)
where:
Base-Base interactions energy: -281.585
where: short stacking energy: -120.314
Base-Backbone interact. energy: -0.966
local terms energy: -171.540644
where:
bonds (distance) C4'-P energy: -37.051
bonds (distance) P-C4' energy: -43.871
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -22.989
tors. eta vs tors. theta energy: -27.407
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: 464
Temperature: 1.150000
Total energy: -431.020989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.020989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.020989 (E_RNA)
where:
Base-Base interactions energy: -249.435
where: short stacking energy: -129.089
Base-Backbone interact. energy: -0.187
local terms energy: -181.399036
where:
bonds (distance) C4'-P energy: -36.009
bonds (distance) P-C4' energy: -35.621
flat angles C4'-P-C4' energy: -47.856
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -33.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -395.867537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.867537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.867537 (E_RNA)
where:
Base-Base interactions energy: -231.947
where: short stacking energy: -118.683
Base-Backbone interact. energy: 0.233
local terms energy: -164.153347
where:
bonds (distance) C4'-P energy: -42.684
bonds (distance) P-C4' energy: -40.634
flat angles C4'-P-C4' energy: -35.222
flat angles P-C4'-P energy: -18.451
tors. eta vs tors. theta energy: -27.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -227.240846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.240846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.240846 (E_RNA)
where:
Base-Base interactions energy: -86.422
where: short stacking energy: -63.966
Base-Backbone interact. energy: -1.480
local terms energy: -139.338112
where:
bonds (distance) C4'-P energy: -39.012
bonds (distance) P-C4' energy: -38.823
flat angles C4'-P-C4' energy: -29.302
flat angles P-C4'-P energy: -27.519
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -195.474452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.474452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.474452 (E_RNA)
where:
Base-Base interactions energy: -60.397
where: short stacking energy: -52.707
Base-Backbone interact. energy: 8.621
local terms energy: -143.698724
where:
bonds (distance) C4'-P energy: -40.442
bonds (distance) P-C4' energy: -38.802
flat angles C4'-P-C4' energy: -45.460
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: 3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -174.296827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.296827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.296827 (E_RNA)
where:
Base-Base interactions energy: -67.820
where: short stacking energy: -66.824
Base-Backbone interact. energy: -0.333
local terms energy: -106.144440
where:
bonds (distance) C4'-P energy: -34.704
bonds (distance) P-C4' energy: -39.980
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: 2.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -668.200424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.200424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.200424 (E_RNA)
where:
Base-Base interactions energy: -439.231
where: short stacking energy: -210.261
Base-Backbone interact. energy: -1.353
local terms energy: -227.615648
where:
bonds (distance) C4'-P energy: -44.469
bonds (distance) P-C4' energy: -36.502
flat angles C4'-P-C4' energy: -46.463
flat angles P-C4'-P energy: -35.609
tors. eta vs tors. theta energy: -64.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -631.689372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.689372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.689372 (E_RNA)
where:
Base-Base interactions energy: -423.646
where: short stacking energy: -183.107
Base-Backbone interact. energy: 0.423
local terms energy: -208.466874
where:
bonds (distance) C4'-P energy: -48.452
bonds (distance) P-C4' energy: -37.554
flat angles C4'-P-C4' energy: -48.027
flat angles P-C4'-P energy: -23.238
tors. eta vs tors. theta energy: -51.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -552.306082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.306082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.306082 (E_RNA)
where:
Base-Base interactions energy: -347.388
where: short stacking energy: -178.737
Base-Backbone interact. energy: -0.471
local terms energy: -204.447313
where:
bonds (distance) C4'-P energy: -35.385
bonds (distance) P-C4' energy: -41.031
flat angles C4'-P-C4' energy: -45.043
flat angles P-C4'-P energy: -28.454
tors. eta vs tors. theta energy: -54.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -490.251768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.251768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.251768 (E_RNA)
where:
Base-Base interactions energy: -303.195
where: short stacking energy: -146.444
Base-Backbone interact. energy: 0.388
local terms energy: -187.444566
where:
bonds (distance) C4'-P energy: -42.615
bonds (distance) P-C4' energy: -38.021
flat angles C4'-P-C4' energy: -46.537
flat angles P-C4'-P energy: -25.826
tors. eta vs tors. theta energy: -34.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -527.550598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.550598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.550598 (E_RNA)
where:
Base-Base interactions energy: -324.000
where: short stacking energy: -154.008
Base-Backbone interact. energy: -0.157
local terms energy: -203.393517
where:
bonds (distance) C4'-P energy: -42.091
bonds (distance) P-C4' energy: -45.748
flat angles C4'-P-C4' energy: -39.540
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: -51.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -410.034719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.034719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.034719 (E_RNA)
where:
Base-Base interactions energy: -239.010
where: short stacking energy: -103.748
Base-Backbone interact. energy: -0.041
local terms energy: -170.984308
where:
bonds (distance) C4'-P energy: -35.107
bonds (distance) P-C4' energy: -38.982
flat angles C4'-P-C4' energy: -40.192
flat angles P-C4'-P energy: -33.393
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -385.795846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.795846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.795846 (E_RNA)
where:
Base-Base interactions energy: -217.865
where: short stacking energy: -116.366
Base-Backbone interact. energy: -0.656
local terms energy: -167.275265
where:
bonds (distance) C4'-P energy: -38.442
bonds (distance) P-C4' energy: -37.678
flat angles C4'-P-C4' energy: -41.673
flat angles P-C4'-P energy: -19.624
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: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -208.560312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.560312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.560312 (E_RNA)
where:
Base-Base interactions energy: -73.581
where: short stacking energy: -62.668
Base-Backbone interact. energy: 0.465
local terms energy: -135.443399
where:
bonds (distance) C4'-P energy: -40.805
bonds (distance) P-C4' energy: -38.590
flat angles C4'-P-C4' energy: -35.052
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -0.182
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: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -202.199066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.199066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.199066 (E_RNA)
where:
Base-Base interactions energy: -86.969
where: short stacking energy: -67.977
Base-Backbone interact. energy: -0.143
local terms energy: -115.086469
where:
bonds (distance) C4'-P energy: -34.107
bonds (distance) P-C4' energy: -36.165
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -8.575
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: 465
Temperature: 1.350000
Total energy: -193.811939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.811939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.811939 (E_RNA)
where:
Base-Base interactions energy: -51.547
where: short stacking energy: -43.848
Base-Backbone interact. energy: 2.883
local terms energy: -145.148066
where:
bonds (distance) C4'-P energy: -41.757
bonds (distance) P-C4' energy: -37.496
flat angles C4'-P-C4' energy: -37.975
flat angles P-C4'-P energy: -23.374
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -637.159612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.159612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.159612 (E_RNA)
where:
Base-Base interactions energy: -412.535
where: short stacking energy: -194.030
Base-Backbone interact. energy: 0.532
local terms energy: -225.156820
where:
bonds (distance) C4'-P energy: -43.924
bonds (distance) P-C4' energy: -41.564
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -53.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -638.975516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.975516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.975516 (E_RNA)
where:
Base-Base interactions energy: -423.877
where: short stacking energy: -179.004
Base-Backbone interact. energy: -0.355
local terms energy: -214.743213
where:
bonds (distance) C4'-P energy: -43.749
bonds (distance) P-C4' energy: -42.100
flat angles C4'-P-C4' energy: -47.780
flat angles P-C4'-P energy: -33.054
tors. eta vs tors. theta energy: -48.060
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: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -555.688059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.688059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.688059 (E_RNA)
where:
Base-Base interactions energy: -343.291
where: short stacking energy: -178.254
Base-Backbone interact. energy: -0.833
local terms energy: -211.563861
where:
bonds (distance) C4'-P energy: -37.151
bonds (distance) P-C4' energy: -44.061
flat angles C4'-P-C4' energy: -42.054
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: -61.971
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: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -540.681075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.681075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.681075 (E_RNA)
where:
Base-Base interactions energy: -337.078
where: short stacking energy: -165.751
Base-Backbone interact. energy: -1.317
local terms energy: -202.286406
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -41.563
flat angles C4'-P-C4' energy: -45.536
flat angles P-C4'-P energy: -30.123
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: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -483.310841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.310841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.310841 (E_RNA)
where:
Base-Base interactions energy: -299.798
where: short stacking energy: -145.865
Base-Backbone interact. energy: 0.925
local terms energy: -184.438180
where:
bonds (distance) C4'-P energy: -35.605
bonds (distance) P-C4' energy: -40.562
flat angles C4'-P-C4' energy: -47.038
flat angles P-C4'-P energy: -24.683
tors. eta vs tors. theta energy: -36.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -397.762675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.762675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.762675 (E_RNA)
where:
Base-Base interactions energy: -249.705
where: short stacking energy: -114.124
Base-Backbone interact. energy: 3.586
local terms energy: -151.643554
where:
bonds (distance) C4'-P energy: -31.183
bonds (distance) P-C4' energy: -33.587
flat angles C4'-P-C4' energy: -43.417
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -343.478298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.478298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.478298 (E_RNA)
where:
Base-Base interactions energy: -183.408
where: short stacking energy: -88.622
Base-Backbone interact. energy: -0.883
local terms energy: -159.187178
where:
bonds (distance) C4'-P energy: -32.830
bonds (distance) P-C4' energy: -40.163
flat angles C4'-P-C4' energy: -41.089
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -24.807
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: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -210.283564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.283564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.283564 (E_RNA)
where:
Base-Base interactions energy: -85.578
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.638
local terms energy: -124.067177
where:
bonds (distance) C4'-P energy: -31.561
bonds (distance) P-C4' energy: -32.815
flat angles C4'-P-C4' energy: -31.883
flat angles P-C4'-P energy: -18.596
tors. eta vs tors. theta energy: -9.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -201.014351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.014351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.014351 (E_RNA)
where:
Base-Base interactions energy: -90.523
where: short stacking energy: -64.935
Base-Backbone interact. energy: 0.844
local terms energy: -111.335704
where:
bonds (distance) C4'-P energy: -34.832
bonds (distance) P-C4' energy: -40.445
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: 0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -183.394613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.394613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.394613 (E_RNA)
where:
Base-Base interactions energy: -72.014
where: short stacking energy: -65.536
Base-Backbone interact. energy: 3.064
local terms energy: -114.444717
where:
bonds (distance) C4'-P energy: -32.388
bonds (distance) P-C4' energy: -33.533
flat angles C4'-P-C4' energy: -25.109
flat angles P-C4'-P energy: -24.697
tors. eta vs tors. theta energy: 1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -643.713832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.713832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.713832 (E_RNA)
where:
Base-Base interactions energy: -420.484
where: short stacking energy: -206.704
Base-Backbone interact. energy: -0.404
local terms energy: -222.825782
where:
bonds (distance) C4'-P energy: -39.908
bonds (distance) P-C4' energy: -44.214
flat angles C4'-P-C4' energy: -51.049
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -59.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -629.793863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.793863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.793863 (E_RNA)
where:
Base-Base interactions energy: -426.369
where: short stacking energy: -191.577
Base-Backbone interact. energy: -1.102
local terms energy: -202.322963
where:
bonds (distance) C4'-P energy: -36.707
bonds (distance) P-C4' energy: -37.110
flat angles C4'-P-C4' energy: -45.561
flat angles P-C4'-P energy: -32.279
tors. eta vs tors. theta energy: -50.666
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: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -569.584428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.584428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.584428 (E_RNA)
where:
Base-Base interactions energy: -353.057
where: short stacking energy: -185.183
Base-Backbone interact. energy: -0.117
local terms energy: -216.410458
where:
bonds (distance) C4'-P energy: -44.498
bonds (distance) P-C4' energy: -43.413
flat angles C4'-P-C4' energy: -40.241
flat angles P-C4'-P energy: -32.549
tors. eta vs tors. theta energy: -55.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -535.411480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.411480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.411480 (E_RNA)
where:
Base-Base interactions energy: -327.515
where: short stacking energy: -148.362
Base-Backbone interact. energy: -0.316
local terms energy: -207.579927
where:
bonds (distance) C4'-P energy: -42.660
bonds (distance) P-C4' energy: -36.563
flat angles C4'-P-C4' energy: -48.677
flat angles P-C4'-P energy: -33.267
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: 5, replica: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -454.586584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.586584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.586584 (E_RNA)
where:
Base-Base interactions energy: -267.885
where: short stacking energy: -121.305
Base-Backbone interact. energy: -0.618
local terms energy: -186.083145
where:
bonds (distance) C4'-P energy: -40.006
bonds (distance) P-C4' energy: -43.614
flat angles C4'-P-C4' energy: -41.583
flat angles P-C4'-P energy: -20.868
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: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -426.451637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.451637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.451637 (E_RNA)
where:
Base-Base interactions energy: -255.650
where: short stacking energy: -112.934
Base-Backbone interact. energy: -0.216
local terms energy: -170.585179
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -45.404
flat angles C4'-P-C4' energy: -44.699
flat angles P-C4'-P energy: -23.166
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -319.965843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.965843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.965843 (E_RNA)
where:
Base-Base interactions energy: -162.356
where: short stacking energy: -97.854
Base-Backbone interact. energy: 1.118
local terms energy: -158.727700
where:
bonds (distance) C4'-P energy: -40.727
bonds (distance) P-C4' energy: -41.827
flat angles C4'-P-C4' energy: -36.160
flat angles P-C4'-P energy: -18.620
tors. eta vs tors. theta energy: -21.394
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: 467
Temperature: 1.250000
Total energy: -208.608841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.608841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.608841 (E_RNA)
where:
Base-Base interactions energy: -83.623
where: short stacking energy: -62.105
Base-Backbone interact. energy: 1.194
local terms energy: -126.179956
where:
bonds (distance) C4'-P energy: -42.082
bonds (distance) P-C4' energy: -39.395
flat angles C4'-P-C4' energy: -25.528
flat angles P-C4'-P energy: -27.308
tors. eta vs tors. theta energy: 8.133
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: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -210.146778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.146778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.146778 (E_RNA)
where:
Base-Base interactions energy: -85.654
where: short stacking energy: -79.168
Base-Backbone interact. energy: 1.882
local terms energy: -126.373985
where:
bonds (distance) C4'-P energy: -32.088
bonds (distance) P-C4' energy: -39.976
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -166.271823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.271823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.271823 (E_RNA)
where:
Base-Base interactions energy: -64.429
where: short stacking energy: -51.229
Base-Backbone interact. energy: -0.837
local terms energy: -101.006286
where:
bonds (distance) C4'-P energy: -34.128
bonds (distance) P-C4' energy: -32.480
flat angles C4'-P-C4' energy: -30.641
flat angles P-C4'-P energy: -9.457
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: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -669.008025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.008025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.008025 (E_RNA)
where:
Base-Base interactions energy: -440.905
where: short stacking energy: -214.930
Base-Backbone interact. energy: 0.650
local terms energy: -228.753097
where:
bonds (distance) C4'-P energy: -41.006
bonds (distance) P-C4' energy: -45.072
flat angles C4'-P-C4' energy: -48.657
flat angles P-C4'-P energy: -30.035
tors. eta vs tors. theta energy: -63.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -617.165883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.165883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.165883 (E_RNA)
where:
Base-Base interactions energy: -402.703
where: short stacking energy: -186.745
Base-Backbone interact. energy: -0.329
local terms energy: -214.133908
where:
bonds (distance) C4'-P energy: -40.959
bonds (distance) P-C4' energy: -40.822
flat angles C4'-P-C4' energy: -48.809
flat angles P-C4'-P energy: -33.525
tors. eta vs tors. theta energy: -50.019
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: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -575.413972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.413972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.413972 (E_RNA)
where:
Base-Base interactions energy: -374.786
where: short stacking energy: -199.897
Base-Backbone interact. energy: -0.117
local terms energy: -200.511033
where:
bonds (distance) C4'-P energy: -35.295
bonds (distance) P-C4' energy: -31.234
flat angles C4'-P-C4' energy: -48.517
flat angles P-C4'-P energy: -29.013
tors. eta vs tors. theta energy: -56.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -528.249796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.249796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.249796 (E_RNA)
where:
Base-Base interactions energy: -345.680
where: short stacking energy: -162.050
Base-Backbone interact. energy: -0.563
local terms energy: -182.006800
where:
bonds (distance) C4'-P energy: -28.619
bonds (distance) P-C4' energy: -36.908
flat angles C4'-P-C4' energy: -46.217
flat angles P-C4'-P energy: -27.072
tors. eta vs tors. theta energy: -43.190
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: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -438.400542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.400542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.400542 (E_RNA)
where:
Base-Base interactions energy: -277.663
where: short stacking energy: -127.609
Base-Backbone interact. energy: 1.761
local terms energy: -162.499138
where:
bonds (distance) C4'-P energy: -43.371
bonds (distance) P-C4' energy: -28.720
flat angles C4'-P-C4' energy: -34.090
flat angles P-C4'-P energy: -29.777
tors. eta vs tors. theta energy: -26.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -444.893007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.893007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.893007 (E_RNA)
where:
Base-Base interactions energy: -268.368
where: short stacking energy: -117.692
Base-Backbone interact. energy: 0.724
local terms energy: -177.249181
where:
bonds (distance) C4'-P energy: -43.262
bonds (distance) P-C4' energy: -37.402
flat angles C4'-P-C4' energy: -34.521
flat angles P-C4'-P energy: -29.096
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: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -311.940355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.940355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.940355 (E_RNA)
where:
Base-Base interactions energy: -157.526
where: short stacking energy: -96.976
Base-Backbone interact. energy: 0.262
local terms energy: -154.676090
where:
bonds (distance) C4'-P energy: -34.059
bonds (distance) P-C4' energy: -42.008
flat angles C4'-P-C4' energy: -35.013
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -24.660
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: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -199.483428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.483428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.483428 (E_RNA)
where:
Base-Base interactions energy: -69.124
where: short stacking energy: -44.520
Base-Backbone interact. energy: -0.752
local terms energy: -129.607435
where:
bonds (distance) C4'-P energy: -39.182
bonds (distance) P-C4' energy: -38.186
flat angles C4'-P-C4' energy: -37.907
flat angles P-C4'-P energy: -18.595
tors. eta vs tors. theta energy: 4.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -198.430372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.430372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.430372 (E_RNA)
where:
Base-Base interactions energy: -80.367
where: short stacking energy: -53.866
Base-Backbone interact. energy: 2.018
local terms energy: -120.080989
where:
bonds (distance) C4'-P energy: -41.465
bonds (distance) P-C4' energy: -41.379
flat angles C4'-P-C4' energy: -37.339
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: 10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -192.491378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.491378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.491378 (E_RNA)
where:
Base-Base interactions energy: -71.782
where: short stacking energy: -66.133
Base-Backbone interact. energy: 3.796
local terms energy: -124.505578
where:
bonds (distance) C4'-P energy: -29.525
bonds (distance) P-C4' energy: -39.319
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -23.560
tors. eta vs tors. theta energy: 0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -656.020312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.020312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.020312 (E_RNA)
where:
Base-Base interactions energy: -420.013
where: short stacking energy: -208.807
Base-Backbone interact. energy: -0.356
local terms energy: -235.651522
where:
bonds (distance) C4'-P energy: -44.979
bonds (distance) P-C4' energy: -39.091
flat angles C4'-P-C4' energy: -49.727
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -65.980
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: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -617.782488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.782488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.782488 (E_RNA)
where:
Base-Base interactions energy: -406.714
where: short stacking energy: -172.474
Base-Backbone interact. energy: -0.581
local terms energy: -210.487250
where:
bonds (distance) C4'-P energy: -39.821
bonds (distance) P-C4' energy: -45.087
flat angles C4'-P-C4' energy: -51.678
flat angles P-C4'-P energy: -32.733
tors. eta vs tors. theta energy: -41.168
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: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -539.752015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.752015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.752015 (E_RNA)
where:
Base-Base interactions energy: -333.255
where: short stacking energy: -158.504
Base-Backbone interact. energy: -2.354
local terms energy: -204.143185
where:
bonds (distance) C4'-P energy: -39.799
bonds (distance) P-C4' energy: -43.990
flat angles C4'-P-C4' energy: -46.820
flat angles P-C4'-P energy: -29.730
tors. eta vs tors. theta energy: -43.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -532.401809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.401809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.401809 (E_RNA)
where:
Base-Base interactions energy: -345.839
where: short stacking energy: -159.782
Base-Backbone interact. energy: -0.261
local terms energy: -186.301668
where:
bonds (distance) C4'-P energy: -37.462
bonds (distance) P-C4' energy: -40.952
flat angles C4'-P-C4' energy: -44.057
flat angles P-C4'-P energy: -24.103
tors. eta vs tors. theta energy: -39.728
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: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -449.788118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.788118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.788118 (E_RNA)
where:
Base-Base interactions energy: -285.003
where: short stacking energy: -128.594
Base-Backbone interact. energy: -1.506
local terms energy: -163.278964
where:
bonds (distance) C4'-P energy: -26.248
bonds (distance) P-C4' energy: -36.797
flat angles C4'-P-C4' energy: -40.266
flat angles P-C4'-P energy: -33.650
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: 6, replica: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -452.335977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.335977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.335977 (E_RNA)
where:
Base-Base interactions energy: -287.075
where: short stacking energy: -114.197
Base-Backbone interact. energy: -0.591
local terms energy: -164.669963
where:
bonds (distance) C4'-P energy: -42.454
bonds (distance) P-C4' energy: -40.670
flat angles C4'-P-C4' energy: -45.450
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -23.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -320.764185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.764185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.764185 (E_RNA)
where:
Base-Base interactions energy: -171.112
where: short stacking energy: -83.648
Base-Backbone interact. energy: -0.838
local terms energy: -148.814266
where:
bonds (distance) C4'-P energy: -39.171
bonds (distance) P-C4' energy: -38.104
flat angles C4'-P-C4' energy: -32.427
flat angles P-C4'-P energy: -29.801
tors. eta vs tors. theta energy: -9.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -205.373167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.373167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.373167 (E_RNA)
where:
Base-Base interactions energy: -70.893
where: short stacking energy: -66.269
Base-Backbone interact. energy: 2.159
local terms energy: -136.639359
where:
bonds (distance) C4'-P energy: -38.949
bonds (distance) P-C4' energy: -38.987
flat angles C4'-P-C4' energy: -33.805
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: 0.444
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: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -209.291139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.291139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.291139 (E_RNA)
where:
Base-Base interactions energy: -95.720
where: short stacking energy: -73.928
Base-Backbone interact. energy: -1.023
local terms energy: -112.547501
where:
bonds (distance) C4'-P energy: -36.392
bonds (distance) P-C4' energy: -40.539
flat angles C4'-P-C4' energy: -22.245
flat angles P-C4'-P energy: -19.668
tors. eta vs tors. theta energy: 6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -171.827996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.827996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.827996 (E_RNA)
where:
Base-Base interactions energy: -52.744
where: short stacking energy: -47.986
Base-Backbone interact. energy: -0.909
local terms energy: -118.174414
where:
bonds (distance) C4'-P energy: -36.447
bonds (distance) P-C4' energy: -41.210
flat angles C4'-P-C4' energy: -33.913
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: 7.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -661.340811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.340811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.340811 (E_RNA)
where:
Base-Base interactions energy: -433.357
where: short stacking energy: -208.138
Base-Backbone interact. energy: 1.741
local terms energy: -229.724269
where:
bonds (distance) C4'-P energy: -39.630
bonds (distance) P-C4' energy: -46.509
flat angles C4'-P-C4' energy: -45.986
flat angles P-C4'-P energy: -32.738
tors. eta vs tors. theta energy: -64.861
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: 3
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -632.146831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.146831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.146831 (E_RNA)
where:
Base-Base interactions energy: -422.883
where: short stacking energy: -160.593
Base-Backbone interact. energy: -1.453
local terms energy: -207.810604
where:
bonds (distance) C4'-P energy: -43.753
bonds (distance) P-C4' energy: -39.017
flat angles C4'-P-C4' energy: -49.220
flat angles P-C4'-P energy: -33.810
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: 3, replica: 9
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -553.111279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.111279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.111279 (E_RNA)
where:
Base-Base interactions energy: -356.321
where: short stacking energy: -172.198
Base-Backbone interact. energy: -0.095
local terms energy: -196.695505
where:
bonds (distance) C4'-P energy: -38.716
bonds (distance) P-C4' energy: -42.887
flat angles C4'-P-C4' energy: -45.889
flat angles P-C4'-P energy: -26.846
tors. eta vs tors. theta energy: -42.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -507.273919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.273919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.273919 (E_RNA)
where:
Base-Base interactions energy: -312.071
where: short stacking energy: -143.299
Base-Backbone interact. energy: -0.880
local terms energy: -194.323004
where:
bonds (distance) C4'-P energy: -45.488
bonds (distance) P-C4' energy: -47.550
flat angles C4'-P-C4' energy: -36.831
flat angles P-C4'-P energy: -25.441
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: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -461.514437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.514437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.514437 (E_RNA)
where:
Base-Base interactions energy: -266.488
where: short stacking energy: -141.531
Base-Backbone interact. energy: -0.329
local terms energy: -194.696596
where:
bonds (distance) C4'-P energy: -45.950
bonds (distance) P-C4' energy: -41.976
flat angles C4'-P-C4' energy: -41.216
flat angles P-C4'-P energy: -29.513
tors. eta vs tors. theta energy: -36.042
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: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -454.686587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.686587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.686587 (E_RNA)
where:
Base-Base interactions energy: -286.723
where: short stacking energy: -121.668
Base-Backbone interact. energy: -1.664
local terms energy: -166.298912
where:
bonds (distance) C4'-P energy: -28.876
bonds (distance) P-C4' energy: -42.689
flat angles C4'-P-C4' energy: -32.621
flat angles P-C4'-P energy: -31.456
tors. eta vs tors. theta energy: -30.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -328.152452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.152452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.152452 (E_RNA)
where:
Base-Base interactions energy: -174.639
where: short stacking energy: -114.118
Base-Backbone interact. energy: -2.553
local terms energy: -150.960060
where:
bonds (distance) C4'-P energy: -33.674
bonds (distance) P-C4' energy: -39.799
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -26.336
tors. eta vs tors. theta energy: -22.032
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: 470
Temperature: 1.250000
Total energy: -205.870617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.870617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.870617 (E_RNA)
where:
Base-Base interactions energy: -83.874
where: short stacking energy: -69.367
Base-Backbone interact. energy: -0.855
local terms energy: -121.141904
where:
bonds (distance) C4'-P energy: -33.106
bonds (distance) P-C4' energy: -42.680
flat angles C4'-P-C4' energy: -25.828
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -6.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -195.351099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.351099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.351099 (E_RNA)
where:
Base-Base interactions energy: -83.531
where: short stacking energy: -66.795
Base-Backbone interact. energy: 5.599
local terms energy: -117.419294
where:
bonds (distance) C4'-P energy: -25.730
bonds (distance) P-C4' energy: -33.490
flat angles C4'-P-C4' energy: -41.295
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -3.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -169.779222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.779222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.779222 (E_RNA)
where:
Base-Base interactions energy: -58.827
where: short stacking energy: -55.564
Base-Backbone interact. energy: -1.457
local terms energy: -109.494525
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -37.232
flat angles C4'-P-C4' energy: -30.406
flat angles P-C4'-P energy: -15.579
tors. eta vs tors. theta energy: -0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -644.990725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.990725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.990725 (E_RNA)
where:
Base-Base interactions energy: -422.613
where: short stacking energy: -208.957
Base-Backbone interact. energy: -3.111
local terms energy: -219.266725
where:
bonds (distance) C4'-P energy: -33.861
bonds (distance) P-C4' energy: -45.316
flat angles C4'-P-C4' energy: -47.933
flat angles P-C4'-P energy: -30.246
tors. eta vs tors. theta energy: -61.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -639.846264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.846264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.846264 (E_RNA)
where:
Base-Base interactions energy: -421.213
where: short stacking energy: -190.233
Base-Backbone interact. energy: -1.096
local terms energy: -217.537522
where:
bonds (distance) C4'-P energy: -47.400
bonds (distance) P-C4' energy: -46.914
flat angles C4'-P-C4' energy: -48.980
flat angles P-C4'-P energy: -29.341
tors. eta vs tors. theta energy: -44.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -529.718123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.718123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.718123 (E_RNA)
where:
Base-Base interactions energy: -321.226
where: short stacking energy: -147.602
Base-Backbone interact. energy: -0.191
local terms energy: -208.300730
where:
bonds (distance) C4'-P energy: -43.631
bonds (distance) P-C4' energy: -48.576
flat angles C4'-P-C4' energy: -45.843
flat angles P-C4'-P energy: -28.681
tors. eta vs tors. theta energy: -41.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -512.877786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.877786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.877786 (E_RNA)
where:
Base-Base interactions energy: -308.857
where: short stacking energy: -159.947
Base-Backbone interact. energy: -0.058
local terms energy: -203.963362
where:
bonds (distance) C4'-P energy: -41.879
bonds (distance) P-C4' energy: -42.634
flat angles C4'-P-C4' energy: -45.639
flat angles P-C4'-P energy: -25.899
tors. eta vs tors. theta energy: -47.913
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: 5, replica: 7
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -443.287935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.287935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.287935 (E_RNA)
where:
Base-Base interactions energy: -253.274
where: short stacking energy: -121.962
Base-Backbone interact. energy: -0.425
local terms energy: -189.589717
where:
bonds (distance) C4'-P energy: -38.586
bonds (distance) P-C4' energy: -38.370
flat angles C4'-P-C4' energy: -44.143
flat angles P-C4'-P energy: -27.920
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: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -463.555517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.555517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.555517 (E_RNA)
where:
Base-Base interactions energy: -280.572
where: short stacking energy: -134.793
Base-Backbone interact. energy: -0.724
local terms energy: -182.259246
where:
bonds (distance) C4'-P energy: -31.722
bonds (distance) P-C4' energy: -45.255
flat angles C4'-P-C4' energy: -41.324
flat angles P-C4'-P energy: -26.879
tors. eta vs tors. theta energy: -37.080
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: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -292.068419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.068419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.068419 (E_RNA)
where:
Base-Base interactions energy: -151.368
where: short stacking energy: -100.174
Base-Backbone interact. energy: 0.345
local terms energy: -141.045435
where:
bonds (distance) C4'-P energy: -29.500
bonds (distance) P-C4' energy: -42.106
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -211.753063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.753063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.753063 (E_RNA)
where:
Base-Base interactions energy: -73.276
where: short stacking energy: -60.983
Base-Backbone interact. energy: -0.715
local terms energy: -137.762730
where:
bonds (distance) C4'-P energy: -36.180
bonds (distance) P-C4' energy: -38.104
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -31.518
tors. eta vs tors. theta energy: -1.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -207.833036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.833036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.833036 (E_RNA)
where:
Base-Base interactions energy: -80.227
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.324
local terms energy: -127.282009
where:
bonds (distance) C4'-P energy: -32.423
bonds (distance) P-C4' energy: -44.933
flat angles C4'-P-C4' energy: -27.773
flat angles P-C4'-P energy: -23.525
tors. eta vs tors. theta energy: 1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -167.050910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.050910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.050910 (E_RNA)
where:
Base-Base interactions energy: -57.511
where: short stacking energy: -41.548
Base-Backbone interact. energy: 1.137
local terms energy: -110.676611
where:
bonds (distance) C4'-P energy: -33.417
bonds (distance) P-C4' energy: -35.590
flat angles C4'-P-C4' energy: -28.875
flat angles P-C4'-P energy: -24.195
tors. eta vs tors. theta energy: 11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -634.871599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.871599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.871599 (E_RNA)
where:
Base-Base interactions energy: -401.941
where: short stacking energy: -204.656
Base-Backbone interact. energy: -0.099
local terms energy: -232.830770
where:
bonds (distance) C4'-P energy: -47.807
bonds (distance) P-C4' energy: -45.183
flat angles C4'-P-C4' energy: -44.835
flat angles P-C4'-P energy: -36.946
tors. eta vs tors. theta energy: -58.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -627.581077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.581077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.581077 (E_RNA)
where:
Base-Base interactions energy: -398.893
where: short stacking energy: -193.591
Base-Backbone interact. energy: 1.254
local terms energy: -229.942509
where:
bonds (distance) C4'-P energy: -49.450
bonds (distance) P-C4' energy: -45.537
flat angles C4'-P-C4' energy: -49.553
flat angles P-C4'-P energy: -30.832
tors. eta vs tors. theta energy: -54.572
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: 9
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -547.710625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.710625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.710625 (E_RNA)
where:
Base-Base interactions energy: -350.907
where: short stacking energy: -160.101
Base-Backbone interact. energy: -0.198
local terms energy: -196.605357
where:
bonds (distance) C4'-P energy: -43.823
bonds (distance) P-C4' energy: -37.206
flat angles C4'-P-C4' energy: -39.760
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: -45.686
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: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -512.555121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.555121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.555121 (E_RNA)
where:
Base-Base interactions energy: -316.813
where: short stacking energy: -149.414
Base-Backbone interact. energy: 2.376
local terms energy: -198.118602
where:
bonds (distance) C4'-P energy: -41.898
bonds (distance) P-C4' energy: -44.879
flat angles C4'-P-C4' energy: -46.803
flat angles P-C4'-P energy: -25.981
tors. eta vs tors. theta energy: -38.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -470.613944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.613944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.613944 (E_RNA)
where:
Base-Base interactions energy: -277.402
where: short stacking energy: -138.022
Base-Backbone interact. energy: -0.469
local terms energy: -192.742861
where:
bonds (distance) C4'-P energy: -42.683
bonds (distance) P-C4' energy: -40.645
flat angles C4'-P-C4' energy: -43.482
flat angles P-C4'-P energy: -36.036
tors. eta vs tors. theta energy: -29.897
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: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -426.801440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.801440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.801440 (E_RNA)
where:
Base-Base interactions energy: -250.345
where: short stacking energy: -128.967
Base-Backbone interact. energy: -0.263
local terms energy: -176.193216
where:
bonds (distance) C4'-P energy: -40.421
bonds (distance) P-C4' energy: -33.999
flat angles C4'-P-C4' energy: -43.096
flat angles P-C4'-P energy: -23.762
tors. eta vs tors. theta energy: -34.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -305.793055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.793055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.793055 (E_RNA)
where:
Base-Base interactions energy: -157.441
where: short stacking energy: -81.821
Base-Backbone interact. energy: -3.198
local terms energy: -145.154056
where:
bonds (distance) C4'-P energy: -30.360
bonds (distance) P-C4' energy: -43.096
flat angles C4'-P-C4' energy: -32.176
flat angles P-C4'-P energy: -31.471
tors. eta vs tors. theta energy: -8.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -227.294522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.294522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.294522 (E_RNA)
where:
Base-Base interactions energy: -85.617
where: short stacking energy: -71.590
Base-Backbone interact. energy: -0.386
local terms energy: -141.291058
where:
bonds (distance) C4'-P energy: -43.703
bonds (distance) P-C4' energy: -31.849
flat angles C4'-P-C4' energy: -38.039
flat angles P-C4'-P energy: -22.559
tors. eta vs tors. theta energy: -5.142
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: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -197.346801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.346801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.346801 (E_RNA)
where:
Base-Base interactions energy: -62.423
where: short stacking energy: -55.527
Base-Backbone interact. energy: 0.436
local terms energy: -135.359893
where:
bonds (distance) C4'-P energy: -36.425
bonds (distance) P-C4' energy: -30.146
flat angles C4'-P-C4' energy: -35.346
flat angles P-C4'-P energy: -26.192
tors. eta vs tors. theta energy: -7.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -181.597347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.597347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.597347 (E_RNA)
where:
Base-Base interactions energy: -68.351
where: short stacking energy: -45.483
Base-Backbone interact. energy: -0.917
local terms energy: -112.329552
where:
bonds (distance) C4'-P energy: -27.464
bonds (distance) P-C4' energy: -40.493
flat angles C4'-P-C4' energy: -30.746
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: 7.251
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: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -651.411554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.411554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.411554 (E_RNA)
where:
Base-Base interactions energy: -426.649
where: short stacking energy: -209.218
Base-Backbone interact. energy: 1.193
local terms energy: -225.955783
where:
bonds (distance) C4'-P energy: -47.914
bonds (distance) P-C4' energy: -45.486
flat angles C4'-P-C4' energy: -41.292
flat angles P-C4'-P energy: -30.100
tors. eta vs tors. theta energy: -61.165
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: 9
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -608.125149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.125149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.125149 (E_RNA)
where:
Base-Base interactions energy: -402.106
where: short stacking energy: -177.308
Base-Backbone interact. energy: -0.334
local terms energy: -205.685127
where:
bonds (distance) C4'-P energy: -44.939
bonds (distance) P-C4' energy: -38.426
flat angles C4'-P-C4' energy: -43.062
flat angles P-C4'-P energy: -32.191
tors. eta vs tors. theta energy: -47.066
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: 473
Temperature: 1.000000
Total energy: -590.148827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.148827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.148827 (E_RNA)
where:
Base-Base interactions energy: -383.238
where: short stacking energy: -180.255
Base-Backbone interact. energy: 1.497
local terms energy: -208.408076
where:
bonds (distance) C4'-P energy: -43.711
bonds (distance) P-C4' energy: -41.788
flat angles C4'-P-C4' energy: -44.922
flat angles P-C4'-P energy: -27.557
tors. eta vs tors. theta energy: -50.430
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: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -509.980048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.980048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.980048 (E_RNA)
where:
Base-Base interactions energy: -314.523
where: short stacking energy: -152.877
Base-Backbone interact. energy: 0.288
local terms energy: -195.744938
where:
bonds (distance) C4'-P energy: -43.225
bonds (distance) P-C4' energy: -39.094
flat angles C4'-P-C4' energy: -43.517
flat angles P-C4'-P energy: -23.970
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: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -451.194551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.194551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.194551 (E_RNA)
where:
Base-Base interactions energy: -285.911
where: short stacking energy: -136.014
Base-Backbone interact. energy: -0.466
local terms energy: -164.817413
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -42.702
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -28.278
tors. eta vs tors. theta energy: -26.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -425.149355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.149355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.149355 (E_RNA)
where:
Base-Base interactions energy: -259.026
where: short stacking energy: -130.484
Base-Backbone interact. energy: -0.584
local terms energy: -165.539138
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -39.616
flat angles C4'-P-C4' energy: -28.138
flat angles P-C4'-P energy: -35.080
tors. eta vs tors. theta energy: -35.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -314.282460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.282460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.282460 (E_RNA)
where:
Base-Base interactions energy: -162.684
where: short stacking energy: -79.333
Base-Backbone interact. energy: 0.668
local terms energy: -152.266835
where:
bonds (distance) C4'-P energy: -39.776
bonds (distance) P-C4' energy: -45.855
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -23.462
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: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -195.081598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.081598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.081598 (E_RNA)
where:
Base-Base interactions energy: -80.027
where: short stacking energy: -65.388
Base-Backbone interact. energy: -1.391
local terms energy: -113.663271
where:
bonds (distance) C4'-P energy: -39.452
bonds (distance) P-C4' energy: -35.118
flat angles C4'-P-C4' energy: -33.821
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: 0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -193.300775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.300775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.300775 (E_RNA)
where:
Base-Base interactions energy: -68.860
where: short stacking energy: -57.679
Base-Backbone interact. energy: 4.176
local terms energy: -128.616706
where:
bonds (distance) C4'-P energy: -40.090
bonds (distance) P-C4' energy: -35.626
flat angles C4'-P-C4' energy: -32.668
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: 1.045
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: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -197.610191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.610191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.610191 (E_RNA)
where:
Base-Base interactions energy: -52.680
where: short stacking energy: -43.173
Base-Backbone interact. energy: -0.184
local terms energy: -144.746230
where:
bonds (distance) C4'-P energy: -33.023
bonds (distance) P-C4' energy: -47.770
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -28.296
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -652.279310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.279310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.279310 (E_RNA)
where:
Base-Base interactions energy: -429.882
where: short stacking energy: -204.965
Base-Backbone interact. energy: -0.040
local terms energy: -222.357482
where:
bonds (distance) C4'-P energy: -34.074
bonds (distance) P-C4' energy: -46.757
flat angles C4'-P-C4' energy: -47.030
flat angles P-C4'-P energy: -29.844
tors. eta vs tors. theta energy: -64.653
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: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -610.887550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.887550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.887550 (E_RNA)
where:
Base-Base interactions energy: -397.339
where: short stacking energy: -188.361
Base-Backbone interact. energy: -1.171
local terms energy: -212.377623
where:
bonds (distance) C4'-P energy: -39.725
bonds (distance) P-C4' energy: -45.326
flat angles C4'-P-C4' energy: -45.350
flat angles P-C4'-P energy: -32.210
tors. eta vs tors. theta energy: -49.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -606.869210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.869210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.869210 (E_RNA)
where:
Base-Base interactions energy: -408.430
where: short stacking energy: -185.615
Base-Backbone interact. energy: 0.978
local terms energy: -199.416495
where:
bonds (distance) C4'-P energy: -42.664
bonds (distance) P-C4' energy: -45.441
flat angles C4'-P-C4' energy: -36.352
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -45.228
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: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -525.562966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.562966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.562966 (E_RNA)
where:
Base-Base interactions energy: -340.093
where: short stacking energy: -177.465
Base-Backbone interact. energy: -0.955
local terms energy: -184.514739
where:
bonds (distance) C4'-P energy: -31.115
bonds (distance) P-C4' energy: -38.742
flat angles C4'-P-C4' energy: -42.472
flat angles P-C4'-P energy: -27.817
tors. eta vs tors. theta energy: -44.369
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: 5, replica: 7
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -454.761811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.761811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.761811 (E_RNA)
where:
Base-Base interactions energy: -275.912
where: short stacking energy: -118.198
Base-Backbone interact. energy: 0.124
local terms energy: -178.974006
where:
bonds (distance) C4'-P energy: -38.642
bonds (distance) P-C4' energy: -42.648
flat angles C4'-P-C4' energy: -42.190
flat angles P-C4'-P energy: -27.632
tors. eta vs tors. theta energy: -27.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -448.797409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.797409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.797409 (E_RNA)
where:
Base-Base interactions energy: -273.881
where: short stacking energy: -129.420
Base-Backbone interact. energy: -0.727
local terms energy: -174.190097
where:
bonds (distance) C4'-P energy: -44.814
bonds (distance) P-C4' energy: -36.331
flat angles C4'-P-C4' energy: -35.191
flat angles P-C4'-P energy: -20.304
tors. eta vs tors. theta energy: -37.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -297.409015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.409015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.409015 (E_RNA)
where:
Base-Base interactions energy: -148.303
where: short stacking energy: -90.892
Base-Backbone interact. energy: -0.471
local terms energy: -148.635566
where:
bonds (distance) C4'-P energy: -34.632
bonds (distance) P-C4' energy: -42.268
flat angles C4'-P-C4' energy: -41.758
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -13.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -210.122017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.122017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.122017 (E_RNA)
where:
Base-Base interactions energy: -76.816
where: short stacking energy: -66.453
Base-Backbone interact. energy: -0.661
local terms energy: -132.644832
where:
bonds (distance) C4'-P energy: -33.097
bonds (distance) P-C4' energy: -34.496
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -23.604
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -189.962448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.962448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.962448 (E_RNA)
where:
Base-Base interactions energy: -57.498
where: short stacking energy: -49.852
Base-Backbone interact. energy: 0.284
local terms energy: -132.748018
where:
bonds (distance) C4'-P energy: -39.194
bonds (distance) P-C4' energy: -44.559
flat angles C4'-P-C4' energy: -34.136
flat angles P-C4'-P energy: -19.355
tors. eta vs tors. theta energy: 4.495
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: 2
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -182.057740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.057740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.057740 (E_RNA)
where:
Base-Base interactions energy: -50.491
where: short stacking energy: -49.457
Base-Backbone interact. energy: 1.804
local terms energy: -133.370769
where:
bonds (distance) C4'-P energy: -42.430
bonds (distance) P-C4' energy: -43.844
flat angles C4'-P-C4' energy: -38.016
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: 6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -642.616138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.616138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.616138 (E_RNA)
where:
Base-Base interactions energy: -413.613
where: short stacking energy: -201.771
Base-Backbone interact. energy: 1.261
local terms energy: -230.263621
where:
bonds (distance) C4'-P energy: -41.139
bonds (distance) P-C4' energy: -46.512
flat angles C4'-P-C4' energy: -50.141
flat angles P-C4'-P energy: -34.227
tors. eta vs tors. theta energy: -58.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -657.879178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.879178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.879178 (E_RNA)
where:
Base-Base interactions energy: -434.912
where: short stacking energy: -186.892
Base-Backbone interact. energy: -0.224
local terms energy: -222.743911
where:
bonds (distance) C4'-P energy: -43.332
bonds (distance) P-C4' energy: -50.156
flat angles C4'-P-C4' energy: -44.523
flat angles P-C4'-P energy: -33.829
tors. eta vs tors. theta energy: -50.904
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: 3, replica: 9
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -577.711787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.711787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.711787 (E_RNA)
where:
Base-Base interactions energy: -368.783
where: short stacking energy: -176.551
Base-Backbone interact. energy: -0.894
local terms energy: -208.034782
where:
bonds (distance) C4'-P energy: -34.375
bonds (distance) P-C4' energy: -47.744
flat angles C4'-P-C4' energy: -40.026
flat angles P-C4'-P energy: -30.473
tors. eta vs tors. theta energy: -55.417
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: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -512.631234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.631234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.631234 (E_RNA)
where:
Base-Base interactions energy: -324.380
where: short stacking energy: -167.904
Base-Backbone interact. energy: 0.076
local terms energy: -188.327377
where:
bonds (distance) C4'-P energy: -40.090
bonds (distance) P-C4' energy: -36.155
flat angles C4'-P-C4' energy: -42.028
flat angles P-C4'-P energy: -22.701
tors. eta vs tors. theta energy: -47.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -486.041226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.041226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.041226 (E_RNA)
where:
Base-Base interactions energy: -302.821
where: short stacking energy: -126.207
Base-Backbone interact. energy: 0.796
local terms energy: -184.016577
where:
bonds (distance) C4'-P energy: -38.378
bonds (distance) P-C4' energy: -38.131
flat angles C4'-P-C4' energy: -43.296
flat angles P-C4'-P energy: -32.349
tors. eta vs tors. theta energy: -31.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -458.026469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.026469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.026469 (E_RNA)
where:
Base-Base interactions energy: -283.567
where: short stacking energy: -130.082
Base-Backbone interact. energy: -1.629
local terms energy: -172.830057
where:
bonds (distance) C4'-P energy: -35.806
bonds (distance) P-C4' energy: -43.866
flat angles C4'-P-C4' energy: -37.923
flat angles P-C4'-P energy: -25.296
tors. eta vs tors. theta energy: -29.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -373.116896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.116896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.116896 (E_RNA)
where:
Base-Base interactions energy: -218.774
where: short stacking energy: -114.096
Base-Backbone interact. energy: 0.228
local terms energy: -154.571053
where:
bonds (distance) C4'-P energy: -37.443
bonds (distance) P-C4' energy: -35.919
flat angles C4'-P-C4' energy: -46.611
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -18.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -214.773387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.773387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.773387 (E_RNA)
where:
Base-Base interactions energy: -72.667
where: short stacking energy: -66.701
Base-Backbone interact. energy: 0.057
local terms energy: -142.163895
where:
bonds (distance) C4'-P energy: -37.120
bonds (distance) P-C4' energy: -35.243
flat angles C4'-P-C4' energy: -39.324
flat angles P-C4'-P energy: -24.366
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -202.006717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.006717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.006717 (E_RNA)
where:
Base-Base interactions energy: -66.751
where: short stacking energy: -57.663
Base-Backbone interact. energy: 3.010
local terms energy: -138.265979
where:
bonds (distance) C4'-P energy: -43.020
bonds (distance) P-C4' energy: -37.230
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -27.216
tors. eta vs tors. theta energy: -0.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -180.334893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.334893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.334893 (E_RNA)
where:
Base-Base interactions energy: -60.856
where: short stacking energy: -47.868
Base-Backbone interact. energy: -0.498
local terms energy: -118.980542
where:
bonds (distance) C4'-P energy: -28.479
bonds (distance) P-C4' energy: -35.315
flat angles C4'-P-C4' energy: -40.088
flat angles P-C4'-P energy: -24.832
tors. eta vs tors. theta energy: 9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -668.057081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.057081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.057081 (E_RNA)
where:
Base-Base interactions energy: -435.666
where: short stacking energy: -181.015
Base-Backbone interact. energy: -0.587
local terms energy: -231.803891
where:
bonds (distance) C4'-P energy: -46.652
bonds (distance) P-C4' energy: -47.655
flat angles C4'-P-C4' energy: -47.125
flat angles P-C4'-P energy: -32.500
tors. eta vs tors. theta energy: -57.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -645.703895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.703895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.703895 (E_RNA)
where:
Base-Base interactions energy: -426.755
where: short stacking energy: -198.463
Base-Backbone interact. energy: -0.108
local terms energy: -218.841745
where:
bonds (distance) C4'-P energy: -42.933
bonds (distance) P-C4' energy: -44.657
flat angles C4'-P-C4' energy: -48.787
flat angles P-C4'-P energy: -29.035
tors. eta vs tors. theta energy: -53.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -599.358219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.358219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.358219 (E_RNA)
where:
Base-Base interactions energy: -375.626
where: short stacking energy: -181.836
Base-Backbone interact. energy: -0.094
local terms energy: -223.637885
where:
bonds (distance) C4'-P energy: -48.439
bonds (distance) P-C4' energy: -42.604
flat angles C4'-P-C4' energy: -48.008
flat angles P-C4'-P energy: -34.961
tors. eta vs tors. theta energy: -49.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -496.901435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.901435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.901435 (E_RNA)
where:
Base-Base interactions energy: -301.226
where: short stacking energy: -153.098
Base-Backbone interact. energy: -0.262
local terms energy: -195.413543
where:
bonds (distance) C4'-P energy: -40.697
bonds (distance) P-C4' energy: -36.932
flat angles C4'-P-C4' energy: -45.181
flat angles P-C4'-P energy: -23.775
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: 7
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -483.980635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.980635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.980635 (E_RNA)
where:
Base-Base interactions energy: -298.429
where: short stacking energy: -135.767
Base-Backbone interact. energy: -0.411
local terms energy: -185.139958
where:
bonds (distance) C4'-P energy: -33.710
bonds (distance) P-C4' energy: -48.948
flat angles C4'-P-C4' energy: -41.196
flat angles P-C4'-P energy: -23.203
tors. eta vs tors. theta energy: -38.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -449.336333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.336333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.336333 (E_RNA)
where:
Base-Base interactions energy: -281.530
where: short stacking energy: -128.197
Base-Backbone interact. energy: -1.554
local terms energy: -166.252415
where:
bonds (distance) C4'-P energy: -40.947
bonds (distance) P-C4' energy: -42.287
flat angles C4'-P-C4' energy: -40.576
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -26.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -350.633889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.633889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.633889 (E_RNA)
where:
Base-Base interactions energy: -201.952
where: short stacking energy: -107.202
Base-Backbone interact. energy: -1.408
local terms energy: -147.274143
where:
bonds (distance) C4'-P energy: -30.708
bonds (distance) P-C4' energy: -38.320
flat angles C4'-P-C4' energy: -32.252
flat angles P-C4'-P energy: -19.909
tors. eta vs tors. theta energy: -26.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -213.244707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.244707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.244707 (E_RNA)
where:
Base-Base interactions energy: -79.862
where: short stacking energy: -67.005
Base-Backbone interact. energy: -1.042
local terms energy: -132.340507
where:
bonds (distance) C4'-P energy: -35.937
bonds (distance) P-C4' energy: -30.848
flat angles C4'-P-C4' energy: -34.499
flat angles P-C4'-P energy: -23.889
tors. eta vs tors. theta energy: -7.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -189.757690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.757690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.757690 (E_RNA)
where:
Base-Base interactions energy: -66.612
where: short stacking energy: -57.582
Base-Backbone interact. energy: 4.981
local terms energy: -128.126065
where:
bonds (distance) C4'-P energy: -45.040
bonds (distance) P-C4' energy: -39.385
flat angles C4'-P-C4' energy: -27.937
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -188.006097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.006097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.006097 (E_RNA)
where:
Base-Base interactions energy: -57.964
where: short stacking energy: -51.992
Base-Backbone interact. energy: 0.552
local terms energy: -130.593995
where:
bonds (distance) C4'-P energy: -40.184
bonds (distance) P-C4' energy: -38.805
flat angles C4'-P-C4' energy: -29.528
flat angles P-C4'-P energy: -27.388
tors. eta vs tors. theta energy: 5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -653.696652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.696652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.696652 (E_RNA)
where:
Base-Base interactions energy: -440.751
where: short stacking energy: -187.843
Base-Backbone interact. energy: -1.340
local terms energy: -211.605425
where:
bonds (distance) C4'-P energy: -39.411
bonds (distance) P-C4' energy: -45.135
flat angles C4'-P-C4' energy: -47.499
flat angles P-C4'-P energy: -30.909
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: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -639.923637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.923637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.923637 (E_RNA)
where:
Base-Base interactions energy: -419.786
where: short stacking energy: -197.606
Base-Backbone interact. energy: 0.126
local terms energy: -220.264070
where:
bonds (distance) C4'-P energy: -44.373
bonds (distance) P-C4' energy: -42.281
flat angles C4'-P-C4' energy: -51.881
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -56.951
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: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -609.633707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.633707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.633707 (E_RNA)
where:
Base-Base interactions energy: -388.415
where: short stacking energy: -183.975
Base-Backbone interact. energy: -0.234
local terms energy: -220.984409
where:
bonds (distance) C4'-P energy: -33.295
bonds (distance) P-C4' energy: -40.986
flat angles C4'-P-C4' energy: -51.930
flat angles P-C4'-P energy: -32.046
tors. eta vs tors. theta energy: -62.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -493.865318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.865318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.865318 (E_RNA)
where:
Base-Base interactions energy: -309.290
where: short stacking energy: -161.190
Base-Backbone interact. energy: -1.414
local terms energy: -183.160688
where:
bonds (distance) C4'-P energy: -32.151
bonds (distance) P-C4' energy: -40.413
flat angles C4'-P-C4' energy: -42.413
flat angles P-C4'-P energy: -24.937
tors. eta vs tors. theta energy: -43.247
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: 7
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -498.245781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.245781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.245781 (E_RNA)
where:
Base-Base interactions energy: -295.969
where: short stacking energy: -144.589
Base-Backbone interact. energy: -0.362
local terms energy: -201.915162
where:
bonds (distance) C4'-P energy: -42.651
bonds (distance) P-C4' energy: -34.218
flat angles C4'-P-C4' energy: -44.319
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: -45.585
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: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -425.340810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.340810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.340810 (E_RNA)
where:
Base-Base interactions energy: -257.261
where: short stacking energy: -116.274
Base-Backbone interact. energy: -0.183
local terms energy: -167.896276
where:
bonds (distance) C4'-P energy: -28.704
bonds (distance) P-C4' energy: -43.979
flat angles C4'-P-C4' energy: -43.960
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -22.972
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: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -359.823687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.823687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.823687 (E_RNA)
where:
Base-Base interactions energy: -199.516
where: short stacking energy: -90.184
Base-Backbone interact. energy: 1.024
local terms energy: -161.330818
where:
bonds (distance) C4'-P energy: -44.063
bonds (distance) P-C4' energy: -42.952
flat angles C4'-P-C4' energy: -42.235
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -18.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -212.368311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.368311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.368311 (E_RNA)
where:
Base-Base interactions energy: -74.465
where: short stacking energy: -56.782
Base-Backbone interact. energy: -0.718
local terms energy: -137.185800
where:
bonds (distance) C4'-P energy: -34.342
bonds (distance) P-C4' energy: -35.619
flat angles C4'-P-C4' energy: -41.419
flat angles P-C4'-P energy: -24.314
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -196.430151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.430151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.430151 (E_RNA)
where:
Base-Base interactions energy: -72.365
where: short stacking energy: -62.031
Base-Backbone interact. energy: 3.721
local terms energy: -127.786490
where:
bonds (distance) C4'-P energy: -32.771
bonds (distance) P-C4' energy: -41.891
flat angles C4'-P-C4' energy: -24.929
flat angles P-C4'-P energy: -29.340
tors. eta vs tors. theta energy: 1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -188.196009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.196009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.196009 (E_RNA)
where:
Base-Base interactions energy: -65.843
where: short stacking energy: -59.589
Base-Backbone interact. energy: -0.713
local terms energy: -121.640002
where:
bonds (distance) C4'-P energy: -39.333
bonds (distance) P-C4' energy: -34.368
flat angles C4'-P-C4' energy: -27.008
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: 2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -652.708132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.708132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.708132 (E_RNA)
where:
Base-Base interactions energy: -431.353
where: short stacking energy: -182.163
Base-Backbone interact. energy: -0.935
local terms energy: -220.420618
where:
bonds (distance) C4'-P energy: -44.275
bonds (distance) P-C4' energy: -45.957
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -33.457
tors. eta vs tors. theta energy: -48.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -638.276164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.276164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.276164 (E_RNA)
where:
Base-Base interactions energy: -411.019
where: short stacking energy: -196.312
Base-Backbone interact. energy: 1.332
local terms energy: -228.588469
where:
bonds (distance) C4'-P energy: -44.225
bonds (distance) P-C4' energy: -44.459
flat angles C4'-P-C4' energy: -44.601
flat angles P-C4'-P energy: -34.618
tors. eta vs tors. theta energy: -60.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -615.790859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.790859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.790859 (E_RNA)
where:
Base-Base interactions energy: -405.171
where: short stacking energy: -205.086
Base-Backbone interact. energy: -0.164
local terms energy: -210.455509
where:
bonds (distance) C4'-P energy: -33.546
bonds (distance) P-C4' energy: -38.491
flat angles C4'-P-C4' energy: -46.835
flat angles P-C4'-P energy: -30.730
tors. eta vs tors. theta energy: -60.853
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: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -499.153958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.153958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.153958 (E_RNA)
where:
Base-Base interactions energy: -309.786
where: short stacking energy: -144.529
Base-Backbone interact. energy: 2.062
local terms energy: -191.430461
where:
bonds (distance) C4'-P energy: -44.481
bonds (distance) P-C4' energy: -40.593
flat angles C4'-P-C4' energy: -41.850
flat angles P-C4'-P energy: -30.285
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: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -487.332936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.332936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.332936 (E_RNA)
where:
Base-Base interactions energy: -302.253
where: short stacking energy: -136.567
Base-Backbone interact. energy: -2.196
local terms energy: -182.883996
where:
bonds (distance) C4'-P energy: -38.884
bonds (distance) P-C4' energy: -44.550
flat angles C4'-P-C4' energy: -41.098
flat angles P-C4'-P energy: -20.901
tors. eta vs tors. theta energy: -37.452
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: 478
Temperature: 1.150000
Total energy: -442.490905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.490905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.490905 (E_RNA)
where:
Base-Base interactions energy: -269.011
where: short stacking energy: -116.076
Base-Backbone interact. energy: 0.172
local terms energy: -173.651595
where:
bonds (distance) C4'-P energy: -38.436
bonds (distance) P-C4' energy: -34.202
flat angles C4'-P-C4' energy: -45.674
flat angles P-C4'-P energy: -36.161
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: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -377.136779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.136779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.136779 (E_RNA)
where:
Base-Base interactions energy: -228.119
where: short stacking energy: -103.494
Base-Backbone interact. energy: -0.589
local terms energy: -148.428853
where:
bonds (distance) C4'-P energy: -33.718
bonds (distance) P-C4' energy: -32.560
flat angles C4'-P-C4' energy: -34.968
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -22.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -217.741722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.741722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.741722 (E_RNA)
where:
Base-Base interactions energy: -77.600
where: short stacking energy: -74.625
Base-Backbone interact. energy: -0.754
local terms energy: -139.387424
where:
bonds (distance) C4'-P energy: -36.757
bonds (distance) P-C4' energy: -37.695
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -18.877
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -184.799882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.799882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.799882 (E_RNA)
where:
Base-Base interactions energy: -63.973
where: short stacking energy: -45.855
Base-Backbone interact. energy: 2.740
local terms energy: -123.567058
where:
bonds (distance) C4'-P energy: -38.521
bonds (distance) P-C4' energy: -34.222
flat angles C4'-P-C4' energy: -34.746
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: 5.829
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: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -185.656151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.656151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.656151 (E_RNA)
where:
Base-Base interactions energy: -60.036
where: short stacking energy: -52.808
Base-Backbone interact. energy: -0.194
local terms energy: -125.426098
where:
bonds (distance) C4'-P energy: -34.844
bonds (distance) P-C4' energy: -35.986
flat angles C4'-P-C4' energy: -30.849
flat angles P-C4'-P energy: -26.970
tors. eta vs tors. theta energy: 3.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -650.710954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.710954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.710954 (E_RNA)
where:
Base-Base interactions energy: -433.724
where: short stacking energy: -194.848
Base-Backbone interact. energy: -1.180
local terms energy: -215.806729
where:
bonds (distance) C4'-P energy: -40.405
bonds (distance) P-C4' energy: -38.635
flat angles C4'-P-C4' energy: -47.459
flat angles P-C4'-P energy: -40.042
tors. eta vs tors. theta energy: -49.266
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: 2, replica: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -626.704656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.704656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.704656 (E_RNA)
where:
Base-Base interactions energy: -391.459
where: short stacking energy: -198.906
Base-Backbone interact. energy: -0.785
local terms energy: -234.460944
where:
bonds (distance) C4'-P energy: -48.352
bonds (distance) P-C4' energy: -42.239
flat angles C4'-P-C4' energy: -49.804
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -60.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -611.047710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.047710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.047710 (E_RNA)
where:
Base-Base interactions energy: -404.407
where: short stacking energy: -190.442
Base-Backbone interact. energy: -0.338
local terms energy: -206.302832
where:
bonds (distance) C4'-P energy: -35.163
bonds (distance) P-C4' energy: -39.692
flat angles C4'-P-C4' energy: -49.513
flat angles P-C4'-P energy: -27.017
tors. eta vs tors. theta energy: -54.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -481.771800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.771800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.771800 (E_RNA)
where:
Base-Base interactions energy: -298.863
where: short stacking energy: -131.997
Base-Backbone interact. energy: -0.648
local terms energy: -182.261141
where:
bonds (distance) C4'-P energy: -34.986
bonds (distance) P-C4' energy: -47.886
flat angles C4'-P-C4' energy: -47.257
flat angles P-C4'-P energy: -26.125
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -477.420590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.420590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.420590 (E_RNA)
where:
Base-Base interactions energy: -300.585
where: short stacking energy: -133.929
Base-Backbone interact. energy: 1.022
local terms energy: -177.858182
where:
bonds (distance) C4'-P energy: -32.683
bonds (distance) P-C4' energy: -38.000
flat angles C4'-P-C4' energy: -40.257
flat angles P-C4'-P energy: -31.907
tors. eta vs tors. theta energy: -35.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -468.024962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.024962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.024962 (E_RNA)
where:
Base-Base interactions energy: -292.982
where: short stacking energy: -130.275
Base-Backbone interact. energy: 0.203
local terms energy: -175.245968
where:
bonds (distance) C4'-P energy: -40.670
bonds (distance) P-C4' energy: -41.644
flat angles C4'-P-C4' energy: -40.832
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -32.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -434.434341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.434341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.434341 (E_RNA)
where:
Base-Base interactions energy: -274.492
where: short stacking energy: -119.135
Base-Backbone interact. energy: -0.560
local terms energy: -159.382005
where:
bonds (distance) C4'-P energy: -41.212
bonds (distance) P-C4' energy: -37.098
flat angles C4'-P-C4' energy: -33.180
flat angles P-C4'-P energy: -24.748
tors. eta vs tors. theta energy: -23.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -218.452686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.452686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.452686 (E_RNA)
where:
Base-Base interactions energy: -97.965
where: short stacking energy: -66.869
Base-Backbone interact. energy: -1.151
local terms energy: -119.336971
where:
bonds (distance) C4'-P energy: -31.122
bonds (distance) P-C4' energy: -37.892
flat angles C4'-P-C4' energy: -34.294
flat angles P-C4'-P energy: -23.327
tors. eta vs tors. theta energy: 7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -191.205398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.205398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.205398 (E_RNA)
where:
Base-Base interactions energy: -68.065
where: short stacking energy: -53.177
Base-Backbone interact. energy: -0.710
local terms energy: -122.430445
where:
bonds (distance) C4'-P energy: -30.862
bonds (distance) P-C4' energy: -41.691
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -24.963
tors. eta vs tors. theta energy: 4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -192.045172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.045172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.045172 (E_RNA)
where:
Base-Base interactions energy: -74.005
where: short stacking energy: -69.711
Base-Backbone interact. energy: 0.668
local terms energy: -118.708375
where:
bonds (distance) C4'-P energy: -33.456
bonds (distance) P-C4' energy: -40.092
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -16.501
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -652.529858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.529858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.529858 (E_RNA)
where:
Base-Base interactions energy: -432.759
where: short stacking energy: -191.477
Base-Backbone interact. energy: -0.527
local terms energy: -219.244061
where:
bonds (distance) C4'-P energy: -46.873
bonds (distance) P-C4' energy: -42.263
flat angles C4'-P-C4' energy: -46.155
flat angles P-C4'-P energy: -30.064
tors. eta vs tors. theta energy: -53.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -633.581245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.581245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.581245 (E_RNA)
where:
Base-Base interactions energy: -408.284
where: short stacking energy: -206.946
Base-Backbone interact. energy: -0.074
local terms energy: -225.222356
where:
bonds (distance) C4'-P energy: -39.854
bonds (distance) P-C4' energy: -44.507
flat angles C4'-P-C4' energy: -47.750
flat angles P-C4'-P energy: -27.620
tors. eta vs tors. theta energy: -65.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -628.654255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.654255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.654255 (E_RNA)
where:
Base-Base interactions energy: -408.453
where: short stacking energy: -210.578
Base-Backbone interact. energy: -0.986
local terms energy: -219.215149
where:
bonds (distance) C4'-P energy: -44.303
bonds (distance) P-C4' energy: -37.333
flat angles C4'-P-C4' energy: -48.429
flat angles P-C4'-P energy: -28.925
tors. eta vs tors. theta energy: -60.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -489.470803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.470803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.470803 (E_RNA)
where:
Base-Base interactions energy: -305.273
where: short stacking energy: -151.726
Base-Backbone interact. energy: -0.240
local terms energy: -183.958561
where:
bonds (distance) C4'-P energy: -37.987
bonds (distance) P-C4' energy: -44.630
flat angles C4'-P-C4' energy: -43.826
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -38.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -537.641170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.641170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.641170 (E_RNA)
where:
Base-Base interactions energy: -335.688
where: short stacking energy: -154.617
Base-Backbone interact. energy: -0.200
local terms energy: -201.752876
where:
bonds (distance) C4'-P energy: -42.180
bonds (distance) P-C4' energy: -46.097
flat angles C4'-P-C4' energy: -49.218
flat angles P-C4'-P energy: -18.970
tors. eta vs tors. theta energy: -45.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -438.764913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.764913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.764913 (E_RNA)
where:
Base-Base interactions energy: -265.735
where: short stacking energy: -129.966
Base-Backbone interact. energy: 0.120
local terms energy: -173.150287
where:
bonds (distance) C4'-P energy: -40.759
bonds (distance) P-C4' energy: -38.057
flat angles C4'-P-C4' energy: -44.422
flat angles P-C4'-P energy: -22.060
tors. eta vs tors. theta energy: -27.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -429.516655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.516655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.516655 (E_RNA)
where:
Base-Base interactions energy: -265.742
where: short stacking energy: -113.921
Base-Backbone interact. energy: -0.521
local terms energy: -163.253580
where:
bonds (distance) C4'-P energy: -46.509
bonds (distance) P-C4' energy: -33.695
flat angles C4'-P-C4' energy: -30.891
flat angles P-C4'-P energy: -27.598
tors. eta vs tors. theta energy: -24.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -250.697707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.697707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.697707 (E_RNA)
where:
Base-Base interactions energy: -119.475
where: short stacking energy: -87.738
Base-Backbone interact. energy: -0.174
local terms energy: -131.048055
where:
bonds (distance) C4'-P energy: -40.387
bonds (distance) P-C4' energy: -33.899
flat angles C4'-P-C4' energy: -33.511
flat angles P-C4'-P energy: -21.859
tors. eta vs tors. theta energy: -1.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -201.373491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.373491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.373491 (E_RNA)
where:
Base-Base interactions energy: -88.281
where: short stacking energy: -72.279
Base-Backbone interact. energy: -1.422
local terms energy: -111.671288
where:
bonds (distance) C4'-P energy: -38.322
bonds (distance) P-C4' energy: -31.215
flat angles C4'-P-C4' energy: -31.773
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: 0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -195.402192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.402192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.402192 (E_RNA)
where:
Base-Base interactions energy: -61.506
where: short stacking energy: -60.319
Base-Backbone interact. energy: 0.643
local terms energy: -134.538886
where:
bonds (distance) C4'-P energy: -36.428
bonds (distance) P-C4' energy: -42.561
flat angles C4'-P-C4' energy: -42.646
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -2.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/rna1-7f194bf9_01
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -654.042835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.042835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.042835 (E_RNA)
where:
Base-Base interactions energy: -429.965
where: short stacking energy: -196.439
Base-Backbone interact. energy: -1.921
local terms energy: -222.156828
where:
bonds (distance) C4'-P energy: -44.956
bonds (distance) P-C4' energy: -42.940
flat angles C4'-P-C4' energy: -53.997
flat angles P-C4'-P energy: -27.060
tors. eta vs tors. theta energy: -53.204
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: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -620.845712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.845712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.845712 (E_RNA)
where:
Base-Base interactions energy: -389.978
where: short stacking energy: -191.777
Base-Backbone interact. energy: -1.408
local terms energy: -229.459424
where:
bonds (distance) C4'-P energy: -45.193
bonds (distance) P-C4' energy: -49.691
flat angles C4'-P-C4' energy: -45.618
flat angles P-C4'-P energy: -33.678
tors. eta vs tors. theta energy: -55.281
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: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -616.762501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.762501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.762501 (E_RNA)
where:
Base-Base interactions energy: -403.361
where: short stacking energy: -194.726
Base-Backbone interact. energy: -0.435
local terms energy: -212.966095
where:
bonds (distance) C4'-P energy: -43.168
bonds (distance) P-C4' energy: -40.779
flat angles C4'-P-C4' energy: -47.977
flat angles P-C4'-P energy: -28.322
tors. eta vs tors. theta energy: -52.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -575.866685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.866685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.866685 (E_RNA)
where:
Base-Base interactions energy: -372.179
where: short stacking energy: -192.556
Base-Backbone interact. energy: -0.413
local terms energy: -203.274292
where:
bonds (distance) C4'-P energy: -31.613
bonds (distance) P-C4' energy: -43.980
flat angles C4'-P-C4' energy: -44.779
flat angles P-C4'-P energy: -24.407
tors. eta vs tors. theta energy: -58.495
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: 481
Temperature: 1.100000
Total energy: -470.036057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.036057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.036057 (E_RNA)
where:
Base-Base interactions energy: -280.764
where: short stacking energy: -147.685
Base-Backbone interact. energy: -0.934
local terms energy: -188.337639
where:
bonds (distance) C4'-P energy: -37.498
bonds (distance) P-C4' energy: -40.513
flat angles C4'-P-C4' energy: -47.483
flat angles P-C4'-P energy: -21.751
tors. eta vs tors. theta energy: -41.093
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: 7
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -462.836448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.836448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.836448 (E_RNA)
where:
Base-Base interactions energy: -297.116
where: short stacking energy: -147.853
Base-Backbone interact. energy: -1.529
local terms energy: -164.191244
where:
bonds (distance) C4'-P energy: -35.000
bonds (distance) P-C4' energy: -38.904
flat angles C4'-P-C4' energy: -29.393
flat angles P-C4'-P energy: -28.956
tors. eta vs tors. theta energy: -31.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -412.407920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.407920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.407920 (E_RNA)
where:
Base-Base interactions energy: -254.245
where: short stacking energy: -134.767
Base-Backbone interact. energy: -1.033
local terms energy: -157.129683
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -39.145
flat angles C4'-P-C4' energy: -43.151
flat angles P-C4'-P energy: -22.127
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -228.815102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.815102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.815102 (E_RNA)
where:
Base-Base interactions energy: -105.064
where: short stacking energy: -68.079
Base-Backbone interact. energy: -1.513
local terms energy: -122.238405
where:
bonds (distance) C4'-P energy: -48.692
bonds (distance) P-C4' energy: -42.931
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: 4.166
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: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -253.708172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.708172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.708172 (E_RNA)
where:
Base-Base interactions energy: -114.920
where: short stacking energy: -78.237
Base-Backbone interact. energy: -0.438
local terms energy: -138.350095
where:
bonds (distance) C4'-P energy: -36.423
bonds (distance) P-C4' energy: -38.148
flat angles C4'-P-C4' energy: -31.869
flat angles P-C4'-P energy: -24.336
tors. eta vs tors. theta energy: -7.575
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: 2
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -188.890932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.890932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.890932 (E_RNA)
where:
Base-Base interactions energy: -63.105
where: short stacking energy: -51.800
Base-Backbone interact. energy: 0.896
local terms energy: -126.681701
where:
bonds (distance) C4'-P energy: -28.242
bonds (distance) P-C4' energy: -34.848
flat angles C4'-P-C4' energy: -40.089
flat angles P-C4'-P energy: -19.900
tors. eta vs tors. theta energy: -3.603
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)